| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1(C)CCC2C3CC2CN1C3 |
| Molar mass | 165.15175 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 14.59961 |
| Number of basis functions | 218 |
| Zero Point Vibrational Energy | 0.308013 |
| InChI | InChI=1/C11H19N/c1-11(2)4-3-10-8-5-9(10)7-12(11)6-8/h8-10H,3-7H2,1-2H3/t8-,9+,10+ |
| Number of occupied orbitals | 46 |
| Energy at 0K | -481.699414 |
| Input SMILES | CC1(C)CCC2C3CC2CN1C3 |
| Number of orbitals | 218 |
| Number of virtual orbitals | 172 |
| Standard InChI | InChI=1S/C11H19N/c1-11(2)4-3-10-8-5-9(10)7-12(11)6-8/h8-10H,3-7H2,1-2H3/t8-,9+,10+ |
| Total Energy | -481.690115 |
| Entropy | 1.467919D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -481.689171 |
| Standard InChI Key | InChIKey=VZYYREPXSOFPSB-MYJAWHEDSA-N |
| Final Isomeric SMILES | CC1(C)CCC2[C@@H]3C[C@H]2CN1C3 |
| SMILES | CC1(C)CC[C@H]2[C@H]3C[N@@]1C[C@@H]2C3 |
| Gibbs energy | -481.732937 |
| Thermal correction to Energy | 0.317312 |
| Thermal correction to Enthalpy | 0.318256 |
| Thermal correction to Gibbs energy | 0.27449 |
