Buta-1,3-diene
Molecule Viewer
Molecular Orbitals
- 1 -300.16 eV View
- 2 -300.15 eV View
- 3 -299.77 eV View
- 4 -299.77 eV View
- 5 -28.18 eV View
- 6 -25.45 eV View
- 7 -21.53 eV View
- 8 -18.47 eV View
- 9 -16.96 eV View
- 10 -15.18 eV View
- 11 -14.57 eV View
- 12 -12.83 eV View
- 13 -11.96 eV View
- 14 -10.46 eV View
- 15 -7.35 eV View
- 16 6.85 eV View
- 17 11.07 eV View
- 18 16.21 eV View
- 19 17.01 eV View
- 20 18.43 eV View
- 21 19.29 eV View
- 22 20.24 eV View
- 23 23.14 eV View
- 24 25.54 eV View
- 25 27.28 eV View
- 26 29.69 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 105.07 cm-1 View
- 2 302.42 cm-1 View
- 3 480.91 cm-1 View
- 4 597.94 cm-1 View
- 5 704.33 cm-1 View
- 6 911.08 cm-1 View
- 7 915.99 cm-1 View
- 8 944.33 cm-1 View
- 9 1015.87 cm-1 View
- 10 1032.26 cm-1 View
- 11 1039.13 cm-1 View
- 12 1103.99 cm-1 View
- 13 1174.28 cm-1 View
- 14 1276.23 cm-1 View
- 15 1313.66 cm-1 View
- 16 1373.48 cm-1 View
- 17 1834.45 cm-1 View
- 18 1864.57 cm-1 View
- 19 3031.19 cm-1 View
- 20 3041.60 cm-1 View
- 21 3130.30 cm-1 View
- 22 3134.73 cm-1 View
- 23 3146.60 cm-1 View
- 24 3147.31 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 7.42 | kJ mol-1 |
| Polar Solvation Energy | -2.56 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.99 | kJ mol-1 |
| Surface Area | 81.23 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.03 | Debye |