Molecule Viewer
Molecular Orbitals
- 1 -2462.35 eV View
- 2 -2462.31 eV View
- 3 -413.14 eV View
- 4 -297.70 eV View
- 5 -297.63 eV View
- 6 -297.19 eV View
- 7 -297.17 eV View
- 8 -296.93 eV View
- 9 -228.38 eV View
- 10 -228.35 eV View
- 11 -164.08 eV View
- 12 -164.04 eV View
- 13 -163.96 eV View
- 14 -163.93 eV View
- 15 -163.93 eV View
- 16 -163.90 eV View
- 17 -27.80 eV View
- 18 -23.34 eV View
- 19 -22.76 eV View
- 20 -20.08 eV View
- 21 -18.97 eV View
- 22 -16.79 eV View
- 23 -16.15 eV View
- 24 -13.55 eV View
- 25 -12.73 eV View
- 26 -12.00 eV View
- 27 -11.56 eV View
- 28 -10.81 eV View
- 29 -10.43 eV View
- 30 -9.81 eV View
- 31 -9.54 eV View
- 32 -8.84 eV View
- 33 -8.42 eV View
- 34 -6.76 eV View
- 35 -6.04 eV View
- 36 -4.73 eV View
- 37 -1.96 eV View
- 38 -1.11 eV View
- 39 -0.10 eV View
- 40 0.00 eV View
- 41 12.27 eV View
- 42 18.39 eV View
- 43 18.87 eV View
- 44 19.03 eV View
- 45 19.70 eV View
- 46 21.02 eV View
- 47 21.64 eV View
- 48 22.06 eV View
- 49 22.14 eV View
- 50 22.69 eV View
- 51 23.14 eV View
- 52 23.18 eV View
- 53 23.74 eV View
- 54 24.22 eV View
- 55 24.61 eV View
- 56 25.43 eV View
- 57 26.35 eV View
- 58 27.60 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -310.35 | kJ mol-1 |
| Polar Solvation Energy | -334.97 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.62 | kJ mol-1 |
| Surface Area | 149.17 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 13.30 | Debye |