Prop-2-enal
Molecule Viewer
Molecular Orbitals
- 1 -552.07 eV View
- 2 -302.65 eV View
- 3 -300.52 eV View
- 4 -300.40 eV View
- 5 -36.25 eV View
- 6 -27.49 eV View
- 7 -22.69 eV View
- 8 -18.99 eV View
- 9 -17.56 eV View
- 10 -15.22 eV View
- 11 -14.62 eV View
- 12 -13.02 eV View
- 13 -12.69 eV View
- 14 -9.23 eV View
- 15 -8.76 eV View
- 16 6.10 eV View
- 17 10.87 eV View
- 18 15.62 eV View
- 19 18.32 eV View
- 20 18.58 eV View
- 21 19.60 eV View
- 22 24.17 eV View
- 23 25.26 eV View
- 24 29.17 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 84.29 cm-1 View
- 2 302.70 cm-1 View
- 3 561.78 cm-1 View
- 4 666.84 cm-1 View
- 5 903.78 cm-1 View
- 6 967.05 cm-1 View
- 7 985.01 cm-1 View
- 8 1064.46 cm-1 View
- 9 1084.23 cm-1 View
- 10 1182.39 cm-1 View
- 11 1269.92 cm-1 View
- 12 1333.48 cm-1 View
- 13 1841.18 cm-1 View
- 14 1970.36 cm-1 View
- 15 2936.67 cm-1 View
- 16 3048.77 cm-1 View
- 17 3124.27 cm-1 View
- 18 3137.20 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -5.42 | kJ mol-1 |
| Polar Solvation Energy | -14.20 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.74 | kJ mol-1 |
| Surface Area | 75.94 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.94 | Debye |