Molecule SMILES: CN(C)C(=O)C1CC1O
Rotational constants A, B, C (GHz): 3.1332, 1.08138, 0.91166
Dipole moment mu (Debye): 4.5746
Isotropic polarizability alpha (Bohr^3): 79.33
HOMO energy (Hartree): -0.2312
LUMO energy (Hartree): 0.0162
HOMO-LUMO gap (Hartree): 0.2474
Electronic spatial extent r2 (Bohr^2): 1345.7623
Zero-point vibrational energy (Hartree): 0.16982
Internal energy at 0 K (Hartree): -440.298274
Internal energy at 298.15 K (Hartree): -440.288408
Enthalpy at 298.15 K (Hartree): -440.287464
Free energy at 298.15 K (Hartree): -440.333788
Heat capacity at 298.15 K (cal/mol K): 35.506
Atomization energy at 0 K (kcal/mol): -1883.54356458
Atomization energy at 298.15 K (kcal/mol): -1895.12738072
Atomization enthalpy at 298.15 K (kcal/mol): -1906.389284743
Atomization free energy at 298.15 K (kcal/mol): -1749.324409552