1-hydroxypyrrolidine-2,5-dione
Molecular Orbitals
- 1 -553.45 eV View
- 2 -551.92 eV View
- 3 -551.92 eV View
- 4 -418.87 eV View
- 5 -303.92 eV View
- 6 -303.92 eV View
- 7 -301.66 eV View
- 8 -301.65 eV View
- 9 -37.56 eV View
- 10 -36.49 eV View
- 11 -36.02 eV View
- 12 -30.66 eV View
- 13 -27.41 eV View
- 14 -24.30 eV View
- 15 -20.25 eV View
- 16 -19.40 eV View
- 17 -17.68 eV View
- 18 -16.60 eV View
- 19 -16.13 eV View
- 20 -16.01 eV View
- 21 -14.72 eV View
- 22 -14.35 eV View
- 23 -13.93 eV View
- 24 -13.71 eV View
- 25 -12.94 eV View
- 26 -11.97 eV View
- 27 -11.40 eV View
- 28 -10.21 eV View
- 29 -8.60 eV View
- 30 -8.24 eV View
- 31 7.49 eV View
- 32 7.96 eV View
- 33 13.13 eV View
- 34 15.32 eV View
- 35 15.56 eV View
- 36 16.06 eV View
- 37 16.87 eV View
- 38 17.70 eV View
- 39 18.34 eV View
- 40 19.10 eV View
- 41 20.21 eV View
- 42 20.71 eV View
- 43 21.59 eV View
- 44 27.10 eV View
- 45 27.51 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 87.00 cm-1 View
- 2 107.06 cm-1 View
- 3 198.62 cm-1 View
- 4 240.51 cm-1 View
- 5 289.49 cm-1 View
- 6 353.24 cm-1 View
- 7 500.52 cm-1 View
- 8 527.88 cm-1 View
- 9 571.45 cm-1 View
- 10 599.81 cm-1 View
- 11 620.04 cm-1 View
- 12 759.54 cm-1 View
- 13 845.77 cm-1 View
- 14 961.54 cm-1 View
- 15 992.65 cm-1 View
- 16 993.69 cm-1 View
- 17 1075.42 cm-1 View
- 18 1083.83 cm-1 View
- 19 1093.44 cm-1 View
- 20 1188.89 cm-1 View
- 21 1247.18 cm-1 View
- 22 1280.05 cm-1 View
- 23 1304.93 cm-1 View
- 24 1372.35 cm-1 View
- 25 1402.76 cm-1 View
- 26 1485.93 cm-1 View
- 27 1968.07 cm-1 View
- 28 2017.91 cm-1 View
- 29 2974.14 cm-1 View
- 30 2987.71 cm-1 View
- 31 3059.94 cm-1 View
- 32 3064.29 cm-1 View
- 33 3926.14 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -20.52 | kJ mol-1 |
| Polar Solvation Energy | -32.71 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.16 | kJ mol-1 |
| Surface Area | 111.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.34 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]