| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CN(C)C2(C1)C1CCNC21 |
| Molar mass | 166.147 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 14.84287 |
| Number of basis functions | 216 |
| Zero Point Vibrational Energy | 0.292875 |
| InChI | InChI=1/C10H18N2/c1-7-5-10(12(2)6-7)8-3-4-11-9(8)10/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-,10+/m1/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -497.697331 |
| Input SMILES | CC1CN(C)C2(C1)C1CCNC21 |
| Number of orbitals | 216 |
| Number of virtual orbitals | 170 |
| Standard InChI | InChI=1S/C10H18N2/c1-7-5-10(12(2)6-7)8-3-4-11-9(8)10/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-,10+/m1/s1 |
| Total Energy | -497.686458 |
| Entropy | 1.646118D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -497.685514 |
| Standard InChI Key | InChIKey=QYHBYEPXJLTZIU-RGOKHQFPSA-N |
| Final Isomeric SMILES | C[C@H]1CN(C)[C@@]2(C1)[C@H]3CCN[C@@H]23 |
| SMILES | C[C@H]1CN([C@]2(C1)[C@H]1[C@@H]2CCN1)C |
| Gibbs energy | -497.734593 |
| Thermal correction to Energy | 0.303749 |
| Thermal correction to Enthalpy | 0.304693 |
| Thermal correction to Gibbs energy | 0.255613 |
