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Molecular structure energies and dipole moments of optimized molecules obtained through DFT calculations.
| PubChem CID | Energy (a.u) | Dipole Moment (Debye) |
|---|---|---|
| 102004710 | −1225.94832 | 3.878234 |
| 198912 | −806.07028 | 2.516531 |
| 11969465 | −1309.527491 | 9.732138 |
| 5281349 | −807.213195 | 2.127067 |
