Propan-1-ol
Molecule Viewer
Molecular Orbitals
- 1 -550.92 eV View
- 2 -301.74 eV View
- 3 -300.68 eV View
- 4 -300.44 eV View
- 5 -35.18 eV View
- 6 -27.60 eV View
- 7 -23.65 eV View
- 8 -21.14 eV View
- 9 -17.27 eV View
- 10 -15.95 eV View
- 11 -14.95 eV View
- 12 -14.49 eV View
- 13 -13.47 eV View
- 14 -12.67 eV View
- 15 -12.20 eV View
- 16 -10.75 eV View
- 17 -9.36 eV View
- 18 15.75 eV View
- 19 15.97 eV View
- 20 16.97 eV View
- 21 18.54 eV View
- 22 19.02 eV View
- 23 19.43 eV View
- 24 20.31 eV View
- 25 20.50 eV View
- 26 21.07 eV View
- 27 21.23 eV View
- 28 22.07 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 95.89 cm-1 View
- 2 192.23 cm-1 View
- 3 318.09 cm-1 View
- 4 330.96 cm-1 View
- 5 485.10 cm-1 View
- 6 786.22 cm-1 View
- 7 907.53 cm-1 View
- 8 941.24 cm-1 View
- 9 1024.14 cm-1 View
- 10 1112.36 cm-1 View
- 11 1120.36 cm-1 View
- 12 1126.04 cm-1 View
- 13 1137.89 cm-1 View
- 14 1153.21 cm-1 View
- 15 1277.01 cm-1 View
- 16 1355.77 cm-1 View
- 17 1377.42 cm-1 View
- 18 1388.90 cm-1 View
- 19 1408.30 cm-1 View
- 20 1409.37 cm-1 View
- 21 1410.84 cm-1 View
- 22 1433.37 cm-1 View
- 23 2933.97 cm-1 View
- 24 2958.16 cm-1 View
- 25 3026.43 cm-1 View
- 26 3038.92 cm-1 View
- 27 3078.78 cm-1 View
- 28 3084.96 cm-1 View
- 29 3181.52 cm-1 View
- 30 3886.02 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.94 | kJ mol-1 |
| Polar Solvation Energy | -10.18 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.12 | kJ mol-1 |
| Surface Area | 78.27 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.78 | Debye |