Piperazine-2,3-dione
Molecule Viewer
Molecular Orbitals
- 1 -551.26 eV View
- 2 -551.25 eV View
- 3 -417.59 eV View
- 4 -417.59 eV View
- 5 -303.85 eV View
- 6 -303.84 eV View
- 7 -302.40 eV View
- 8 -302.39 eV View
- 9 -36.68 eV View
- 10 -35.85 eV View
- 11 -32.18 eV View
- 12 -30.68 eV View
- 13 -26.30 eV View
- 14 -23.33 eV View
- 15 -22.30 eV View
- 16 -18.40 eV View
- 17 -17.97 eV View
- 18 -17.20 eV View
- 19 -17.01 eV View
- 20 -15.42 eV View
- 21 -14.74 eV View
- 22 -14.33 eV View
- 23 -14.15 eV View
- 24 -13.50 eV View
- 25 -13.13 eV View
- 26 -11.88 eV View
- 27 -10.40 eV View
- 28 -8.53 eV View
- 29 -8.34 eV View
- 30 -7.96 eV View
- 31 6.36 eV View
- 32 10.99 eV View
- 33 13.94 eV View
- 34 14.94 eV View
- 35 15.72 eV View
- 36 16.80 eV View
- 37 16.95 eV View
- 38 17.80 eV View
- 39 17.86 eV View
- 40 19.54 eV View
- 41 19.72 eV View
- 42 21.29 eV View
- 43 21.64 eV View
- 44 23.81 eV View
- 45 25.10 eV View
- 46 29.62 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 77.46 cm-1 View
- 2 148.65 cm-1 View
- 3 232.45 cm-1 View
- 4 343.73 cm-1 View
- 5 396.41 cm-1 View
- 6 414.62 cm-1 View
- 7 499.12 cm-1 View
- 8 500.12 cm-1 View
- 9 587.02 cm-1 View
- 10 646.97 cm-1 View
- 11 680.97 cm-1 View
- 12 769.62 cm-1 View
- 13 787.02 cm-1 View
- 14 902.14 cm-1 View
- 15 947.39 cm-1 View
- 16 1004.06 cm-1 View
- 17 1006.63 cm-1 View
- 18 1081.03 cm-1 View
- 19 1101.68 cm-1 View
- 20 1126.60 cm-1 View
- 21 1243.36 cm-1 View
- 22 1307.11 cm-1 View
- 23 1326.82 cm-1 View
- 24 1351.86 cm-1 View
- 25 1361.48 cm-1 View
- 26 1389.16 cm-1 View
- 27 1439.94 cm-1 View
- 28 1447.05 cm-1 View
- 29 1912.92 cm-1 View
- 30 1944.14 cm-1 View
- 31 2914.21 cm-1 View
- 32 2926.12 cm-1 View
- 33 2994.22 cm-1 View
- 34 3000.77 cm-1 View
- 35 3387.39 cm-1 View
- 36 3387.77 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -27.90 | kJ mol-1 |
| Polar Solvation Energy | -43.58 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.68 | kJ mol-1 |
| Surface Area | 109.58 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 8.10 | Debye |