Molecule SMILES: CC1N(C)C(=O)C1(C)O
Rotational constants A, B, C (GHz): 1.96122, 1.64463, 1.1404
Dipole moment mu (Debye): 2.7365
Isotropic polarizability alpha (Bohr^3): 76.97
HOMO energy (Hartree): -0.2364
LUMO energy (Hartree): 0.0299
HOMO-LUMO gap (Hartree): 0.2663
Electronic spatial extent r2 (Bohr^2): 1177
Zero-point vibrational energy (Hartree): 0.168102
Internal energy at 0 K (Hartree): -440.315421
Internal energy at 298.15 K (Hartree): -440.304938
Enthalpy at 298.15 K (Hartree): -440.303993
Free energy at 298.15 K (Hartree): -440.350555
Heat capacity at 298.15 K (cal/mol K): 37.426
Atomization energy at 0 K (kcal/mol): -1894.3034614031
Atomization energy at 298.15 K (kcal/mol): -1905.50010449
Atomization enthalpy at 298.15 K (kcal/mol): -1916.761381004
Atomization free energy at 298.15 K (kcal/mol): -1759.845852955