| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | C[C@@]1(CCN(C1)C(=O)N(C)C)C(=O)[O-] |
| Molar mass | 199.10827 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.85973 |
| Number of basis functions | 240 |
| Zero Point Vibrational Energy | 0.261641 |
| InChI | InChI=1/C9H15N2O3/c1-9(7(12)13)4-5-11(6-9)8(14)10(2)3/h4-6H2,1-3H3/t9-/m0/s1 |
| Number of occupied orbitals | 54 |
| Energy at 0K | -682.820086 |
| Input SMILES | O=C(N1CC[C@](C1)(C)C(=O)[O-])N(C)C |
| Number of orbitals | 240 |
| Number of virtual orbitals | 186 |
| Standard InChI | InChI=1S/C9H15N2O3/c1-9(7(12)13)4-5-11(6-9)8(14)10(2)3/h4-6H2,1-3H3/t9-/m0/s1 |
| Total Energy | -682.80623 |
| Entropy | 1.892336D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -682.805286 |
| Standard InChI Key | InChIKey=RBZMAABUMBFPHN-VIFPVBQESA-N |
| Final Isomeric SMILES | CN(C)C(=O)N1CC[C@@](C)(C1)[C]([O])[O] |
| SMILES | [O][C]([O])[C@@]1(C)CC[N]([C](=O)N(C)C)C1 |
| Gibbs energy | -682.861706 |
| Thermal correction to Energy | 0.275497 |
| Thermal correction to Enthalpy | 0.276441 |
| Thermal correction to Gibbs energy | 0.22002 |
