| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | C1C2CN1C1C3CN4CC(C13)C24 |
| Molar mass | 162.1157 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 14.93512 |
| Number of basis functions | 208 |
| Zero Point Vibrational Energy | 0.249955 |
| InChI | InChI=1/C10H14N2/c1-5-2-11(1)10-7-4-12-3-6(8(7)10)9(5)12/h5-10H,1-4H2/t6-,7+,8-,9+,10+/m0/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -495.31531 |
| Input SMILES | C1C2CN1C1C3CN4CC(C13)C24 |
| Number of orbitals | 208 |
| Number of virtual orbitals | 164 |
| Standard InChI | InChI=1S/C10H14N2/c1-5-2-11(1)10-7-4-12-3-6(8(7)10)9(5)12/h5-10H,1-4H2/t6-,7+,8-,9+,10+/m0/s1 |
| Total Energy | -495.308358 |
| Entropy | 1.325608D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -495.307414 |
| Standard InChI Key | InChIKey=NVNCWGCUCKFNRE-SQXHDICFSA-N |
| Final Isomeric SMILES | C1C2CN1[C@@H]3[C@@H]4C[N@]5C[C@@H]([C@H]34)[C@@H]25 |
| SMILES | C1[C@@H]2C[N@]1[C@@H]1[C@H]3[C@@H]1[C@H]1[C@@H]2[N@](C1)C3 |
| Gibbs energy | -495.346937 |
| Thermal correction to Energy | 0.256908 |
| Thermal correction to Enthalpy | 0.257852 |
| Thermal correction to Gibbs energy | 0.218329 |
