7h-purin-6-amine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational298.29kJ mol-1
Total (Trans. + Rot. + Vib.)308.20kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational100.16J mol-1 K-1
Total (Trans. + Rot. + Vib.)133.41J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.93J mol-1 K-1
Rotational121.46J mol-1 K-1
Vibrational68.62J mol-1 K-1
Total (Trans. + Rot. + Vib.)360.01J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation258.46kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 151.65 cm-1 View
  • 2 195.68 cm-1 View
  • 3 231.92 cm-1 View
  • 4 271.64 cm-1 View
  • 5 283.51 cm-1 View
  • 6 288.43 cm-1 View
  • 7 496.96 cm-1 View
  • 8 499.64 cm-1 View
  • 9 511.53 cm-1 View
  • 10 521.96 cm-1 View
  • 11 598.18 cm-1 View
  • 12 621.24 cm-1 View
  • 13 737.81 cm-1 View
  • 14 785.23 cm-1 View
  • 15 835.53 cm-1 View
  • 16 844.41 cm-1 View
  • 17 890.89 cm-1 View
  • 18 909.50 cm-1 View
  • 19 940.05 cm-1 View
  • 20 1006.60 cm-1 View
  • 21 1044.85 cm-1 View
  • 22 1083.52 cm-1 View
  • 23 1168.63 cm-1 View
  • 24 1199.98 cm-1 View
  • 25 1211.43 cm-1 View
  • 26 1340.31 cm-1 View
  • 27 1380.72 cm-1 View
  • 28 1419.12 cm-1 View
  • 29 1462.50 cm-1 View
  • 30 1592.45 cm-1 View
  • 31 1600.17 cm-1 View
  • 32 1667.97 cm-1 View
  • 33 1707.94 cm-1 View
  • 34 1775.01 cm-1 View
  • 35 2987.11 cm-1 View
  • 36 3046.79 cm-1 View
  • 37 3416.99 cm-1 View
  • 38 3461.48 cm-1 View
  • 39 3531.01 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-38.58kJ mol-1
Polar Solvation Energy-57.10kJ mol-1
Nonpolar Solvation Energy18.52kJ mol-1
Surface Area115.99Å2
Charge of Molecule0
Dipole8.49Debye