Molecule SMILES: CN(C)C(=O)C1(C)CO1
Rotational constants A, B, C (GHz): 2.54487, 1.28156, 1.10679
Dipole moment mu (Debye): 1.9402
Isotropic polarizability alpha (Bohr^3): 77.03
HOMO energy (Hartree): -0.2369
LUMO energy (Hartree): 0.0234
HOMO-LUMO gap (Hartree): 0.2604
Electronic spatial extent r2 (Bohr^2): 1220.945
Zero-point vibrational energy (Hartree): 0.168045
Internal energy at 0 K (Hartree): -440.290595
Internal energy at 298.15 K (Hartree): -440.280059
Enthalpy at 298.15 K (Hartree): -440.279115
Free energy at 298.15 K (Hartree): -440.327241
Heat capacity at 298.15 K (cal/mol K): 36.668
Atomization energy at 0 K (kcal/mol): -1878.724922969
Atomization energy at 298.15 K (kcal/mol): -1889.888308079
Atomization enthalpy at 298.15 K (kcal/mol): -1901.150212102
Atomization free energy at 298.15 K (kcal/mol): -1745.216108129