Molecule SMILES: CC(O)C1C(C)N1C
Rotational constants A, B, C (GHz): 2.73028, 1.63734, 1.24042
Dipole moment mu (Debye): 1.4865
Isotropic polarizability alpha (Bohr^3): 75.13
HOMO energy (Hartree): -0.2153
LUMO energy (Hartree): 0.073
HOMO-LUMO gap (Hartree): 0.2883
Electronic spatial extent r2 (Bohr^2): 1079.0571
Zero-point vibrational energy (Hartree): 0.186108
Internal energy at 0 K (Hartree): -366.229833
Internal energy at 298.15 K (Hartree): -366.219841
Enthalpy at 298.15 K (Hartree): -366.218897
Free energy at 298.15 K (Hartree): -366.264384
Heat capacity at 298.15 K (cal/mol K): 36.05
Atomization energy at 0 K (kcal/mol): -1880.777504908
Atomization energy at 298.15 K (kcal/mol): -1893.170807658
Atomization enthalpy at 298.15 K (kcal/mol): -1905.026335195
Atomization free energy at 298.15 K (kcal/mol): -1741.966239018