1,4-diazabicyclo[2.2.2]octane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational473.33kJ mol-1
Total (Trans. + Rot. + Vib.)483.25kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational88.32J mol-1 K-1
Total (Trans. + Rot. + Vib.)121.57J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.60J mol-1 K-1
Rotational114.73J mol-1 K-1
Vibrational45.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)327.54J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation11.60kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 137.16 cm-1 View
  • 2 335.74 cm-1 View
  • 3 335.91 cm-1 View
  • 4 448.25 cm-1 View
  • 5 448.41 cm-1 View
  • 6 576.07 cm-1 View
  • 7 576.26 cm-1 View
  • 8 638.75 cm-1 View
  • 9 804.30 cm-1 View
  • 10 836.47 cm-1 View
  • 11 836.52 cm-1 View
  • 12 838.13 cm-1 View
  • 13 924.16 cm-1 View
  • 14 943.38 cm-1 View
  • 15 946.08 cm-1 View
  • 16 946.14 cm-1 View
  • 17 947.65 cm-1 View
  • 18 992.34 cm-1 View
  • 19 992.37 cm-1 View
  • 20 1021.71 cm-1 View
  • 21 1034.53 cm-1 View
  • 22 1034.54 cm-1 View
  • 23 1056.30 cm-1 View
  • 24 1084.42 cm-1 View
  • 25 1093.91 cm-1 View
  • 26 1093.92 cm-1 View
  • 27 1131.87 cm-1 View
  • 28 1131.96 cm-1 View
  • 29 1163.04 cm-1 View
  • 30 1163.13 cm-1 View
  • 31 1269.67 cm-1 View
  • 32 1269.69 cm-1 View
  • 33 1308.02 cm-1 View
  • 34 1310.84 cm-1 View
  • 35 1316.94 cm-1 View
  • 36 1316.94 cm-1 View
  • 37 1387.15 cm-1 View
  • 38 1387.17 cm-1 View
  • 39 1400.78 cm-1 View
  • 40 1403.93 cm-1 View
  • 41 1403.95 cm-1 View
  • 42 1418.04 cm-1 View
  • 43 2950.35 cm-1 View
  • 44 2951.70 cm-1 View
  • 45 2951.74 cm-1 View
  • 46 2964.63 cm-1 View
  • 47 2967.13 cm-1 View
  • 48 2967.17 cm-1 View
  • 49 3025.76 cm-1 View
  • 50 3027.34 cm-1 View
  • 51 3027.38 cm-1 View
  • 52 3029.42 cm-1 View
  • 53 3030.57 cm-1 View
  • 54 3030.61 cm-1 View