Molecule Viewer
Molecular Orbitals
- 1 -2157.70 eV View
- 2 -549.73 eV View
- 3 -549.46 eV View
- 4 -546.80 eV View
- 5 -300.55 eV View
- 6 -300.29 eV View
- 7 -299.46 eV View
- 8 -205.84 eV View
- 9 -146.86 eV View
- 10 -146.80 eV View
- 11 -146.75 eV View
- 12 -35.62 eV View
- 13 -34.09 eV View
- 14 -31.93 eV View
- 15 -27.99 eV View
- 16 -24.89 eV View
- 17 -22.27 eV View
- 18 -20.86 eV View
- 19 -17.28 eV View
- 20 -17.06 eV View
- 21 -16.65 eV View
- 22 -15.86 eV View
- 23 -14.80 eV View
- 24 -13.96 eV View
- 25 -13.50 eV View
- 26 -12.52 eV View
- 27 -12.17 eV View
- 28 -11.91 eV View
- 29 -11.67 eV View
- 30 -10.10 eV View
- 31 -9.94 eV View
- 32 -9.42 eV View
- 33 -8.51 eV View
- 34 -7.18 eV View
- 35 10.34 eV View
- 36 11.57 eV View
- 37 13.75 eV View
- 38 14.70 eV View
- 39 16.40 eV View
- 40 18.06 eV View
- 41 18.08 eV View
- 42 19.26 eV View
- 43 19.72 eV View
- 44 20.09 eV View
- 45 20.38 eV View
- 46 20.82 eV View
- 47 21.47 eV View
- 48 21.89 eV View
- 49 21.97 eV View
- 50 22.49 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.20 | kJ mol-1 |
| Polar Solvation Energy | -26.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.22 | kJ mol-1 |
| Surface Area | 117.21 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.34 | Debye |