| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CCC2(C)C(CN3CC3)N12 |
| Molar mass | 166.147 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 15.55281 |
| Number of basis functions | 216 |
| Zero Point Vibrational Energy | 0.290815 |
| InChI | InChI=1/C10H18N2/c1-8-3-4-10(2)9(12(8)10)7-11-5-6-11/h8-9H,3-7H2,1-2H3/t8-,9+,10-,12+/m0/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -497.671668 |
| Input SMILES | CC1CCC2(C)C(CN3CC3)N12 |
| Number of orbitals | 216 |
| Number of virtual orbitals | 170 |
| Standard InChI | InChI=1S/C10H18N2/c1-8-3-4-10(2)9(12(8)10)7-11-5-6-11/h8-9H,3-7H2,1-2H3/t8-,9+,10-,12+/m0/s1 |
| Total Energy | -497.660215 |
| Entropy | 1.677545D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -497.659271 |
| Standard InChI Key | InChIKey=HNUQQFYYSPQCAW-MIZYBKAJSA-N |
| Final Isomeric SMILES | C[C@H]1CC[C@@]2(C)[C@@H](CN3CC3)N12 |
| SMILES | C[C@H]1CC[C@@]2([N@]1[C@@H]2CN1CC1)C |
| Gibbs energy | -497.709287 |
| Thermal correction to Energy | 0.302269 |
| Thermal correction to Enthalpy | 0.303213 |
| Thermal correction to Gibbs energy | 0.253197 |
