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 -15.85 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 18.39 eV View
- 20 18.44 eV View
- 21 18.76 eV View
- 22 19.44 eV View
- 23 19.63 eV View
- 24 20.19 eV View
- 25 21.90 eV View
- 26 27.73 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 89.65 cm-1 View
- 2 116.89 cm-1 View
- 3 389.97 cm-1 View
- 4 521.88 cm-1 View
- 5 537.65 cm-1 View
- 6 891.80 cm-1 View
- 7 928.85 cm-1 View
- 8 943.43 cm-1 View
- 9 1033.46 cm-1 View
- 10 1060.08 cm-1 View
- 11 1274.45 cm-1 View
- 12 1373.90 cm-1 View
- 13 1385.08 cm-1 View
- 14 1391.90 cm-1 View
- 15 1396.03 cm-1 View
- 16 1399.24 cm-1 View
- 17 1411.55 cm-1 View
- 18 1978.98 cm-1 View
- 19 3082.65 cm-1 View
- 20 3083.68 cm-1 View
- 21 3089.96 cm-1 View
- 22 3091.55 cm-1 View
- 23 3180.64 cm-1 View
- 24 3181.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.62 | kJ mol-1 |
| Polar Solvation Energy | -16.50 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.86 | kJ mol-1 |
| Surface Area | 78.72 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.50 | Debye |