1,4-dihydropyridine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational262.53kJ mol-1
Total (Trans. + Rot. + Vib.)272.45kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational49.17J mol-1 K-1
Total (Trans. + Rot. + Vib.)82.43J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.40J mol-1 K-1
Rotational107.45J mol-1 K-1
Vibrational21.30J mol-1 K-1
Total (Trans. + Rot. + Vib.)292.15J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation782.79kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 339.83 cm-1 View
  • 2 354.39 cm-1 View
  • 3 604.49 cm-1 View
  • 4 614.20 cm-1 View
  • 5 616.09 cm-1 View
  • 6 735.56 cm-1 View
  • 7 828.28 cm-1 View
  • 8 868.37 cm-1 View
  • 9 943.88 cm-1 View
  • 10 963.69 cm-1 View
  • 11 996.08 cm-1 View
  • 12 1046.31 cm-1 View
  • 13 1051.33 cm-1 View
  • 14 1069.55 cm-1 View
  • 15 1135.48 cm-1 View
  • 16 1142.15 cm-1 View
  • 17 1175.62 cm-1 View
  • 18 1199.30 cm-1 View
  • 19 1257.36 cm-1 View
  • 20 1298.55 cm-1 View
  • 21 1499.92 cm-1 View
  • 22 1535.45 cm-1 View
  • 23 1712.07 cm-1 View
  • 24 1728.53 cm-1 View
  • 25 2968.54 cm-1 View
  • 26 2972.26 cm-1 View
  • 27 3020.08 cm-1 View
  • 28 3028.46 cm-1 View
  • 29 3041.03 cm-1 View
  • 30 3375.87 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-209.38kJ mol-1
Polar Solvation Energy-215.21kJ mol-1
Nonpolar Solvation Energy5.81kJ mol-1
Surface Area93.84Å2
Charge of Molecule1
Dipole3.31Debye