| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1(C)CC2NC3CC(C)(C3)C12 |
| Molar mass | 165.15175 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 14.92369 |
| Number of basis functions | 218 |
| Zero Point Vibrational Energy | 0.304486 |
| InChI | InChI=1/C11H19N/c1-10(2)6-8-9(10)11(3)4-7(5-11)12-8/h7-9,12H,4-6H2,1-3H3/t7-,8-,9-,11+/m1/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -481.68908 |
| Input SMILES | CC1(C)CC2NC3CC(C)(C3)C12 |
| Number of orbitals | 218 |
| Number of virtual orbitals | 172 |
| Standard InChI | InChI=1S/C11H19N/c1-10(2)6-8-9(10)11(3)4-7(5-11)12-8/h7-9,12H,4-6H2,1-3H3/t7-,8-,9-,11+/m1/s1 |
| Total Energy | -481.678688 |
| Entropy | 1.544357D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -481.677744 |
| Standard InChI Key | InChIKey=ORMLFQBJIKQEEV-CDLYGTGVSA-N |
| Final Isomeric SMILES | CC1(C)C[C@H]2NC3CC(C)(C3)[C@@H]12 |
| SMILES | CC1(C)C[C@@H]2[C@H]1[C@]1(C)C[C@H](N2)C1 |
| Gibbs energy | -481.723789 |
| Thermal correction to Energy | 0.314878 |
| Thermal correction to Enthalpy | 0.315822 |
| Thermal correction to Gibbs energy | 0.269777 |
