Propan-2-one
Molecule Viewer
Molecular Orbitals
- 1 -551.49 eV View
- 2 -302.62 eV View
- 3 -300.64 eV View
- 4 -300.64 eV View
- 5 -35.97 eV View
- 6 -26.80 eV View
- 7 -24.94 eV View
- 8 -18.64 eV View
- 9 -16.00 eV View
- 10 -15.71 eV View
- 11 -15.65 eV View
- 12 -14.27 eV View
- 13 -13.21 eV View
- 14 -13.21 eV View
- 15 -10.58 eV View
- 16 -8.83 eV View
- 17 7.94 eV View
- 18 16.34 eV View
- 19 18.02 eV View
- 20 18.54 eV View
- 21 18.72 eV View
- 22 19.47 eV View
- 23 19.68 eV View
- 24 20.53 eV View
- 25 22.30 eV View
- 26 27.48 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 20.78 cm-1 View
- 2 30.29 cm-1 View
- 3 385.38 cm-1 View
- 4 530.12 cm-1 View
- 5 535.73 cm-1 View
- 6 896.42 cm-1 View
- 7 904.04 cm-1 View
- 8 976.53 cm-1 View
- 9 1023.07 cm-1 View
- 10 1064.05 cm-1 View
- 11 1255.62 cm-1 View
- 12 1367.40 cm-1 View
- 13 1381.76 cm-1 View
- 14 1391.78 cm-1 View
- 15 1393.93 cm-1 View
- 16 1397.10 cm-1 View
- 17 1417.87 cm-1 View
- 18 1972.63 cm-1 View
- 19 3082.08 cm-1 View
- 20 3082.95 cm-1 View
- 21 3084.26 cm-1 View
- 22 3086.80 cm-1 View
- 23 3181.14 cm-1 View
- 24 3182.76 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.35 | kJ mol-1 |
| Polar Solvation Energy | -16.71 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.36 | kJ mol-1 |
| Surface Area | 80.90 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.33 | Debye |