Molecule Viewer
Molecular Orbitals
- 1 -312.10 eV View
- 2 -307.51 eV View
- 3 -307.51 eV View
- 4 -307.50 eV View
- 5 -36.73 eV View
- 6 -31.81 eV View
- 7 -31.81 eV View
- 8 -25.79 eV View
- 9 -22.94 eV View
- 10 -22.94 eV View
- 11 -22.31 eV View
- 12 -20.17 eV View
- 13 -20.17 eV View
- 14 -19.71 eV View
- 15 -19.54 eV View
- 16 -19.54 eV View
- 17 -3.30 eV View
- 18 9.76 eV View
- 19 9.76 eV View
- 20 11.33 eV View
- 21 11.44 eV View
- 22 11.44 eV View
- 23 12.79 eV View
- 24 13.20 eV View
- 25 13.77 eV View
- 26 14.14 eV View
- 27 14.14 eV View
- 28 16.64 eV View
- 29 16.65 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 83.13 cm-1 View
- 2 84.75 cm-1 View
- 3 155.12 cm-1 View
- 4 413.12 cm-1 View
- 5 413.78 cm-1 View
- 6 469.83 cm-1 View
- 7 791.27 cm-1 View
- 8 792.87 cm-1 View
- 9 902.67 cm-1 View
- 10 953.43 cm-1 View
- 11 954.16 cm-1 View
- 12 973.51 cm-1 View
- 13 1060.03 cm-1 View
- 14 1272.38 cm-1 View
- 15 1272.70 cm-1 View
- 16 1304.80 cm-1 View
- 17 1317.07 cm-1 View
- 18 1317.25 cm-1 View
- 19 1320.88 cm-1 View
- 20 1321.50 cm-1 View
- 21 1322.30 cm-1 View
- 22 1378.39 cm-1 View
- 23 1506.86 cm-1 View
- 24 1507.16 cm-1 View
- 25 2969.28 cm-1 View
- 26 2969.88 cm-1 View
- 27 2972.42 cm-1 View
- 28 3040.41 cm-1 View
- 29 3040.58 cm-1 View
- 30 3040.80 cm-1 View
- 31 3112.78 cm-1 View
- 32 3113.09 cm-1 View
- 33 3122.47 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -203.88 | kJ mol-1 |
| Polar Solvation Energy | -218.24 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.34 | kJ mol-1 |
| Surface Area | 85.66 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 0.03 | Debye |