| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CCCC2C3CC1CC23N |
| Molar mass | 165.15175 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 15.0075 |
| Number of basis functions | 218 |
| Zero Point Vibrational Energy | 0.307196 |
| InChI | InChI=1/C11H19N/c1-7-3-2-4-9-10-5-8(7)6-11(9,10)12/h7-10H,2-6,12H2,1H3/t7-,8+,9-,10+,11+/m0/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -481.70497 |
| Input SMILES | CC1CCCC2C3CC1CC23N |
| Number of orbitals | 218 |
| Number of virtual orbitals | 172 |
| Standard InChI | InChI=1S/C11H19N/c1-7-3-2-4-9-10-5-8(7)6-11(9,10)12/h7-10H,2-6,12H2,1H3/t7-,8+,9-,10+,11+/m0/s1 |
| Total Energy | -481.694498 |
| Entropy | 1.562435D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -481.693554 |
| Standard InChI Key | InChIKey=KGGHAHLDICXQCQ-OGBGREFGSA-N |
| Final Isomeric SMILES | C[C@H]1CCC[C@H]2[C@H]3C[C@@H]1C[C@@]23N |
| SMILES | C[C@H]1CCC[C@H]2[C@H]3C[C@@H]1C[C@@]23N |
| Gibbs energy | -481.740138 |
| Thermal correction to Energy | 0.317667 |
| Thermal correction to Enthalpy | 0.318611 |
| Thermal correction to Gibbs energy | 0.272027 |
