oxidane
Molecule Viewer
Molecular Orbitals
- 1 -558.45 eV View
- 2 -296.89 eV View
- 3 -296.89 eV View
- 4 -39.46 eV View
- 5 -23.16 eV View
- 6 -22.31 eV View
- 7 -20.97 eV View
- 8 -17.38 eV View
- 9 -15.39 eV View
- 10 -12.51 eV View
- 11 -12.47 eV View
- 12 -12.34 eV View
- 13 -12.30 eV View
- 14 -0.40 eV View
- 15 10.29 eV View
- 16 11.94 eV View
- 17 14.94 eV View
- 18 21.16 eV View
- 19 21.24 eV View
- 20 21.25 eV View
- 21 21.31 eV View
- 22 21.56 eV View
- 23 21.72 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 121.83 cm-1 View
- 2 126.52 cm-1 View
- 3 137.28 cm-1 View
- 4 373.57 cm-1 View
- 5 470.62 cm-1 View
- 6 607.28 cm-1 View
- 7 751.95 cm-1 View
- 8 849.57 cm-1 View
- 9 864.79 cm-1 View
- 10 877.08 cm-1 View
- 11 884.95 cm-1 View
- 12 1044.81 cm-1 View
- 13 1275.01 cm-1 View
- 14 1284.58 cm-1 View
- 15 1391.86 cm-1 View
- 16 1392.72 cm-1 View
- 17 1404.42 cm-1 View
- 18 1405.13 cm-1 View
- 19 1532.23 cm-1 View
- 20 3137.88 cm-1 View
- 21 3138.23 cm-1 View
- 22 3142.63 cm-1 View
- 23 3142.97 cm-1 View
- 24 3214.80 cm-1 View
- 25 3215.41 cm-1 View
- 26 3310.87 cm-1 View
- 27 3493.20 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.72 | kJ mol-1 |
| Polar Solvation Energy | -8.71 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.42 | kJ mol-1 |
| Surface Area | 76.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.11 | Debye |