N2-chloro-1,3,5-triazine-2,4,6-triamine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational278.99kJ mol-1
Total (Trans. + Rot. + Vib.)288.91kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational106.19J mol-1 K-1
Total (Trans. + Rot. + Vib.)139.45J mol-1 K-1
Entropy
PropertyValueUnit
Translational172.04J mol-1 K-1
Rotational127.21J mol-1 K-1
Vibrational89.80J mol-1 K-1
Total (Trans. + Rot. + Vib.)389.05J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation136.55kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 4.34 cm-1 View
  • 2 7.55 cm-1 View
  • 3 10.09 cm-1 View
  • 4 90.29 cm-1 View
  • 5 126.11 cm-1 View
  • 6 179.26 cm-1 View
  • 7 183.95 cm-1 View
  • 8 233.30 cm-1 View
  • 9 267.63 cm-1 View
  • 10 310.31 cm-1 View
  • 11 456.90 cm-1 View
  • 12 487.77 cm-1 View
  • 13 493.79 cm-1 View
  • 14 524.02 cm-1 View
  • 15 552.37 cm-1 View
  • 16 613.30 cm-1 View
  • 17 620.73 cm-1 View
  • 18 667.44 cm-1 View
  • 19 714.01 cm-1 View
  • 20 916.52 cm-1 View
  • 21 1012.37 cm-1 View
  • 22 1026.09 cm-1 View
  • 23 1031.83 cm-1 View
  • 24 1154.88 cm-1 View
  • 25 1170.47 cm-1 View
  • 26 1251.25 cm-1 View
  • 27 1322.40 cm-1 View
  • 28 1505.63 cm-1 View
  • 29 1519.26 cm-1 View
  • 30 1579.69 cm-1 View
  • 31 1632.57 cm-1 View
  • 32 1633.41 cm-1 View
  • 33 1645.18 cm-1 View
  • 34 1672.35 cm-1 View
  • 35 3411.06 cm-1 View
  • 36 3484.18 cm-1 View
  • 37 3484.45 cm-1 View
  • 38 3542.24 cm-1 View
  • 39 3542.66 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-16.31kJ mol-1
Polar Solvation Energy-42.87kJ mol-1
Nonpolar Solvation Energy26.58kJ mol-1
Surface Area148.18Å2
Charge of Molecule0
Dipole1.73Debye