Molecule Viewer
Molecular Orbitals
- 1 -2157.75 eV View
- 2 -549.64 eV View
- 3 -549.46 eV View
- 4 -546.78 eV View
- 5 -300.54 eV View
- 6 -300.23 eV View
- 7 -299.55 eV View
- 8 -205.90 eV View
- 9 -146.92 eV View
- 10 -146.85 eV View
- 11 -146.81 eV View
- 12 -35.56 eV View
- 13 -34.06 eV View
- 14 -31.87 eV View
- 15 -27.92 eV View
- 16 -24.90 eV View
- 17 -22.34 eV View
- 18 -20.75 eV View
- 19 -17.44 eV View
- 20 -16.91 eV View
- 21 -16.57 eV View
- 22 -16.02 eV View
- 23 -14.69 eV View
- 24 -13.77 eV View
- 25 -13.47 eV View
- 26 -12.43 eV View
- 27 -12.37 eV View
- 28 -12.07 eV View
- 29 -11.73 eV View
- 30 -10.06 eV View
- 31 -9.93 eV View
- 32 -9.34 eV View
- 33 -8.51 eV View
- 34 -7.09 eV View
- 35 10.43 eV View
- 36 11.55 eV View
- 37 13.95 eV View
- 38 15.16 eV View
- 39 16.52 eV View
- 40 17.76 eV View
- 41 18.66 eV View
- 42 19.32 eV View
- 43 19.68 eV View
- 44 19.85 eV View
- 45 20.34 eV View
- 46 20.89 eV View
- 47 21.17 eV View
- 48 21.52 eV View
- 49 21.70 eV View
- 50 22.21 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.93 | kJ mol-1 |
| Polar Solvation Energy | -25.78 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.85 | kJ mol-1 |
| Surface Area | 116.12 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.07 | Debye |