Molecule Viewer
Molecular Orbitals
- 1 -2157.45 eV View
- 2 -548.31 eV View
- 3 -547.63 eV View
- 4 -547.54 eV View
- 5 -300.96 eV View
- 6 -300.95 eV View
- 7 -300.79 eV View
- 8 -300.52 eV View
- 9 -205.63 eV View
- 10 -146.65 eV View
- 11 -146.58 eV View
- 12 -146.55 eV View
- 13 -35.26 eV View
- 14 -33.00 eV View
- 15 -31.62 eV View
- 16 -28.80 eV View
- 17 -26.45 eV View
- 18 -23.71 eV View
- 19 -22.01 eV View
- 20 -20.78 eV View
- 21 -17.30 eV View
- 22 -16.81 eV View
- 23 -16.46 eV View
- 24 -16.08 eV View
- 25 -15.44 eV View
- 26 -15.08 eV View
- 27 -14.21 eV View
- 28 -13.92 eV View
- 29 -13.43 eV View
- 30 -12.30 eV View
- 31 -12.14 eV View
- 32 -11.85 eV View
- 33 -10.13 eV View
- 34 -9.43 eV View
- 35 -9.30 eV View
- 36 -8.91 eV View
- 37 -8.56 eV View
- 38 -7.10 eV View
- 39 11.41 eV View
- 40 12.12 eV View
- 41 12.89 eV View
- 42 14.92 eV View
- 43 15.92 eV View
- 44 16.43 eV View
- 45 17.11 eV View
- 46 18.67 eV View
- 47 18.91 eV View
- 48 19.03 eV View
- 49 19.17 eV View
- 50 20.07 eV View
- 51 20.39 eV View
- 52 20.83 eV View
- 53 21.22 eV View
- 54 21.48 eV View
- 55 21.72 eV View
- 56 22.06 eV View
- 57 22.23 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.81 | kJ mol-1 |
| Polar Solvation Energy | -28.62 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.80 | kJ mol-1 |
| Surface Area | 123.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.56 | Debye |