7h-purin-6-amine
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 298.30 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 308.22 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 100.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 133.33 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.93 | J mol-1 K-1 |
| Rotational | 121.46 | J mol-1 K-1 |
| Vibrational | 68.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 359.62 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 258.45 | kJ mol-1 |
Molecular Orbitals
- 1 -419.93 eV View
- 2 -418.10 eV View
- 3 -417.46 eV View
- 4 -417.13 eV View
- 5 -417.12 eV View
- 6 -303.35 eV View
- 7 -302.95 eV View
- 8 -302.24 eV View
- 9 -302.20 eV View
- 10 -301.88 eV View
- 11 -35.09 eV View
- 12 -33.54 eV View
- 13 -32.07 eV View
- 14 -30.36 eV View
- 15 -29.38 eV View
- 16 -26.76 eV View
- 17 -22.56 eV View
- 18 -22.05 eV View
- 19 -21.05 eV View
- 20 -19.27 eV View
- 21 -17.70 eV View
- 22 -17.45 eV View
- 23 -16.75 eV View
- 24 -15.83 eV View
- 25 -15.41 eV View
- 26 -15.00 eV View
- 27 -14.23 eV View
- 28 -13.25 eV View
- 29 -11.81 eV View
- 30 -10.84 eV View
- 31 -9.75 eV View
- 32 -9.59 eV View
- 33 -8.48 eV View
- 34 -7.81 eV View
- 35 -7.12 eV View
- 36 5.47 eV View
- 37 6.71 eV View
- 38 8.81 eV View
- 39 12.73 eV View
- 40 14.04 eV View
- 41 15.31 eV View
- 42 15.79 eV View
- 43 16.42 eV View
- 44 16.67 eV View
- 45 17.53 eV View
- 46 18.63 eV View
- 47 18.87 eV View
- 48 19.80 eV View
- 49 20.91 eV View
- 50 22.51 eV View
- 51 23.83 eV View
- 52 24.27 eV View
- 53 25.25 eV View
- 54 27.66 eV View
- 55 29.19 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 152.06 cm-1 View
- 2 196.49 cm-1 View
- 3 241.71 cm-1 View
- 4 271.35 cm-1 View
- 5 283.71 cm-1 View
- 6 289.89 cm-1 View
- 7 496.98 cm-1 View
- 8 499.51 cm-1 View
- 9 511.49 cm-1 View
- 10 521.48 cm-1 View
- 11 598.15 cm-1 View
- 12 621.38 cm-1 View
- 13 737.70 cm-1 View
- 14 785.36 cm-1 View
- 15 835.53 cm-1 View
- 16 844.79 cm-1 View
- 17 891.00 cm-1 View
- 18 909.48 cm-1 View
- 19 940.68 cm-1 View
- 20 1006.62 cm-1 View
- 21 1044.91 cm-1 View
- 22 1083.33 cm-1 View
- 23 1168.10 cm-1 View
- 24 1199.97 cm-1 View
- 25 1211.25 cm-1 View
- 26 1339.74 cm-1 View
- 27 1380.63 cm-1 View
- 28 1418.69 cm-1 View
- 29 1462.29 cm-1 View
- 30 1593.13 cm-1 View
- 31 1599.97 cm-1 View
- 32 1667.90 cm-1 View
- 33 1708.19 cm-1 View
- 34 1774.98 cm-1 View
- 35 2986.97 cm-1 View
- 36 3046.58 cm-1 View
- 37 3417.06 cm-1 View
- 38 3460.30 cm-1 View
- 39 3531.11 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -38.29 | kJ mol-1 |
| Polar Solvation Energy | -56.93 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.64 | kJ mol-1 |
| Surface Area | 115.96 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 8.47 | Debye |