1h-pyrrolo[3,2-c]pyridine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational311.58kJ mol-1
Total (Trans. + Rot. + Vib.)321.50kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational76.76J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.02J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.25J mol-1 K-1
Rotational117.84J mol-1 K-1
Vibrational41.69J mol-1 K-1
Total (Trans. + Rot. + Vib.)327.78J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation204.47kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 18.88 cm-1 View
  • 2 199.76 cm-1 View
  • 3 232.92 cm-1 View
  • 4 393.44 cm-1 View
  • 5 419.46 cm-1 View
  • 6 524.07 cm-1 View
  • 7 540.15 cm-1 View
  • 8 561.99 cm-1 View
  • 9 617.53 cm-1 View
  • 10 723.38 cm-1 View
  • 11 792.59 cm-1 View
  • 12 812.34 cm-1 View
  • 13 821.84 cm-1 View
  • 14 881.27 cm-1 View
  • 15 899.90 cm-1 View
  • 16 938.08 cm-1 View
  • 17 956.39 cm-1 View
  • 18 958.38 cm-1 View
  • 19 1051.88 cm-1 View
  • 20 1078.18 cm-1 View
  • 21 1098.42 cm-1 View
  • 22 1106.77 cm-1 View
  • 23 1145.41 cm-1 View
  • 24 1220.86 cm-1 View
  • 25 1264.88 cm-1 View
  • 26 1355.06 cm-1 View
  • 27 1412.01 cm-1 View
  • 28 1444.57 cm-1 View
  • 29 1519.35 cm-1 View
  • 30 1621.74 cm-1 View
  • 31 1647.42 cm-1 View
  • 32 1757.43 cm-1 View
  • 33 1792.93 cm-1 View
  • 34 3034.73 cm-1 View
  • 35 3040.30 cm-1 View
  • 36 3088.92 cm-1 View
  • 37 3110.13 cm-1 View
  • 38 3157.32 cm-1 View
  • 39 3473.67 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-6.30kJ mol-1
Polar Solvation Energy-24.61kJ mol-1
Nonpolar Solvation Energy18.27kJ mol-1
Surface Area108.20Å2
Charge of Molecule0
Dipole5.46Debye