Molecule Viewer
Molecular Orbitals
- 1 -2157.68 eV View
- 2 -549.29 eV View
- 3 -549.21 eV View
- 4 -547.00 eV View
- 5 -300.56 eV View
- 6 -299.94 eV View
- 7 -205.85 eV View
- 8 -146.87 eV View
- 9 -146.80 eV View
- 10 -146.77 eV View
- 11 -35.56 eV View
- 12 -33.91 eV View
- 13 -31.71 eV View
- 14 -27.31 eV View
- 15 -23.88 eV View
- 16 -21.13 eV View
- 17 -17.25 eV View
- 18 -17.03 eV View
- 19 -16.06 eV View
- 20 -15.93 eV View
- 21 -14.82 eV View
- 22 -13.49 eV View
- 23 -13.04 eV View
- 24 -12.54 eV View
- 25 -11.35 eV View
- 26 -10.63 eV View
- 27 -9.96 eV View
- 28 -8.85 eV View
- 29 -8.29 eV View
- 30 -7.00 eV View
- 31 11.09 eV View
- 32 11.33 eV View
- 33 13.88 eV View
- 34 14.91 eV View
- 35 16.80 eV View
- 36 18.46 eV View
- 37 19.11 eV View
- 38 19.70 eV View
- 39 20.23 eV View
- 40 20.88 eV View
- 41 21.21 eV View
- 42 21.56 eV View
- 43 21.74 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -18.20 | kJ mol-1 |
| Polar Solvation Energy | -27.02 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.82 | kJ mol-1 |
| Surface Area | 96.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.88 | Debye |