Molecule Viewer
Molecular Orbitals
- 1 -300.62 eV View
- 2 -299.69 eV View
- 3 -299.68 eV View
- 4 -299.60 eV View
- 5 -299.60 eV View
- 6 -29.66 eV View
- 7 -24.54 eV View
- 8 -24.54 eV View
- 9 -19.10 eV View
- 10 -18.36 eV View
- 11 -17.56 eV View
- 12 -15.14 eV View
- 13 -13.65 eV View
- 14 -12.72 eV View
- 15 -12.28 eV View
- 16 -12.13 eV View
- 17 -9.78 eV View
- 18 -6.67 eV View
- 19 6.86 eV View
- 20 11.16 eV View
- 21 16.62 eV View
- 22 16.86 eV View
- 23 17.99 eV View
- 24 18.74 eV View
- 25 19.65 eV View
- 26 19.76 eV View
- 27 20.40 eV View
- 28 22.52 eV View
- 29 25.47 eV View
- 30 27.44 eV View
- 31 30.66 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 346.22 cm-1 View
- 2 479.34 cm-1 View
- 3 712.17 cm-1 View
- 4 794.26 cm-1 View
- 5 798.31 cm-1 View
- 6 825.07 cm-1 View
- 7 875.84 cm-1 View
- 8 961.77 cm-1 View
- 9 986.89 cm-1 View
- 10 1010.93 cm-1 View
- 11 1021.93 cm-1 View
- 12 1037.08 cm-1 View
- 13 1088.57 cm-1 View
- 14 1091.06 cm-1 View
- 15 1207.20 cm-1 View
- 16 1219.53 cm-1 View
- 17 1351.18 cm-1 View
- 18 1363.57 cm-1 View
- 19 1419.55 cm-1 View
- 20 1718.54 cm-1 View
- 21 1783.42 cm-1 View
- 22 2985.51 cm-1 View
- 23 3053.70 cm-1 View
- 24 3133.99 cm-1 View
- 25 3136.56 cm-1 View
- 26 3149.02 cm-1 View
- 27 3158.76 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.88 | kJ mol-1 |
| Polar Solvation Energy | -4.74 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.61 | kJ mol-1 |
| Surface Area | 83.00 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.74 | Debye |