Molecule Viewer
Molecular Orbitals
- 1 -568.35 eV View
- 2 -564.12 eV View
- 3 -318.27 eV View
- 4 -318.03 eV View
- 5 -315.71 eV View
- 6 -314.69 eV View
- 7 -314.24 eV View
- 8 -314.12 eV View
- 9 -313.57 eV View
- 10 -51.18 eV View
- 11 -46.94 eV View
- 12 -43.72 eV View
- 13 -39.77 eV View
- 14 -38.55 eV View
- 15 -35.02 eV View
- 16 -33.80 eV View
- 17 -32.72 eV View
- 18 -30.09 eV View
- 19 -29.41 eV View
- 20 -28.82 eV View
- 21 -28.71 eV View
- 22 -27.47 eV View
- 23 -27.01 eV View
- 24 -26.46 eV View
- 25 -25.08 eV View
- 26 -25.07 eV View
- 27 -24.33 eV View
- 28 -23.37 eV View
- 29 -22.77 eV View
- 30 -22.52 eV View
- 31 -18.38 eV View
- 32 -9.72 eV View
- 33 -9.11 eV View
- 34 -5.04 eV View
- 35 -1.37 eV View
- 36 0.43 eV View
- 37 2.40 eV View
- 38 2.78 eV View
- 39 3.78 eV View
- 40 4.79 eV View
- 41 5.83 eV View
- 42 6.99 eV View
- 43 7.06 eV View
- 44 7.15 eV View
- 45 8.38 eV View
- 46 8.60 eV View
- 47 9.10 eV View
- 48 9.75 eV View
- 49 12.72 eV View
- 50 15.80 eV View
- 51 16.54 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -774.26 | kJ mol-1 |
| Polar Solvation Energy | -787.15 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.87 | kJ mol-1 |
| Surface Area | 110.42 | Å2 |
| Charge of Molecule | 2 | |
| Dipole | 9.04 | Debye |