| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CCC1=NNC(C)(C)CC1C=C |
| Molar mass | 166.147 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.54272 |
| Number of basis functions | 216 |
| Zero Point Vibrational Energy | 0.288557 |
| InChI | InChI=1/C10H22N2/c1-5-8-7-10(3,4)12-11-9(8)6-2/h8-9,11-12H,5-7H2,1-4H3/t8-,9+/m1/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -497.714183 |
| Input SMILES | CCC1=NNC(C)(C)CC1C=C |
| Number of orbitals | 216 |
| Number of virtual orbitals | 170 |
| Standard InChI | InChI=1S/C10H22N2/c1-5-8-7-10(3,4)12-11-9(8)6-2/h8-9,11-12H,5-7H2,1-4H3/t8-,9+/m1/s1 |
| Total Energy | -497.701844 |
| Entropy | 1.719671D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -497.7009 |
| Standard InChI Key | InChIKey=MYNSBNFTESBKDN-BDAKNGLRSA-N |
| Final Isomeric SMILES | CC[C@@H]1CC(C)(C)NN[C@H]1CC |
| SMILES | CC[C@@H]1CC(C)(C)NN[C@H]1CC |
| Gibbs energy | -497.752172 |
| Thermal correction to Energy | 0.300896 |
| Thermal correction to Enthalpy | 0.30184 |
| Thermal correction to Gibbs energy | 0.250568 |
