Propan-2-one
Molecule Viewer
Molecular Orbitals
- 1 -551.57 eV View
- 2 -302.61 eV View
- 3 -300.66 eV View
- 4 -300.66 eV View
- 5 -36.00 eV View
- 6 -26.89 eV View
- 7 -24.91 eV View
- 8 -18.64 eV View
- 9 -16.05 eV View
- 10 -15.84 eV View
- 11 -15.56 eV View
- 12 -14.15 eV View
- 13 -13.40 eV View
- 14 -13.10 eV View
- 15 -10.72 eV View
- 16 -8.87 eV View
- 17 8.03 eV View
- 18 16.55 eV View
- 19 18.38 eV View
- 20 18.44 eV View
- 21 18.76 eV View
- 22 19.44 eV View
- 23 19.62 eV View
- 24 20.19 eV View
- 25 21.90 eV View
- 26 27.73 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 93.62 cm-1 View
- 2 120.60 cm-1 View
- 3 390.02 cm-1 View
- 4 522.23 cm-1 View
- 5 537.77 cm-1 View
- 6 892.19 cm-1 View
- 7 928.60 cm-1 View
- 8 943.55 cm-1 View
- 9 1033.65 cm-1 View
- 10 1060.30 cm-1 View
- 11 1274.49 cm-1 View
- 12 1374.02 cm-1 View
- 13 1385.15 cm-1 View
- 14 1391.89 cm-1 View
- 15 1396.05 cm-1 View
- 16 1399.29 cm-1 View
- 17 1411.47 cm-1 View
- 18 1978.64 cm-1 View
- 19 3082.22 cm-1 View
- 20 3082.98 cm-1 View
- 21 3089.53 cm-1 View
- 22 3091.10 cm-1 View
- 23 3180.17 cm-1 View
- 24 3180.97 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -5.64 | kJ mol-1 |
| Polar Solvation Energy | -16.64 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.99 | kJ mol-1 |
| Surface Area | 79.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.51 | Debye |