Molecule SMILES: CC1CC(N(C)C)C1=O
Rotational constants A, B, C (GHz): 2.88561, 1.12986, 0.88105
Dipole moment mu (Debye): 2.6339
Isotropic polarizability alpha (Bohr^3): 84.23
HOMO energy (Hartree): -0.2116
LUMO energy (Hartree): -0.0191
HOMO-LUMO gap (Hartree): 0.1925
Electronic spatial extent r2 (Bohr^2): 1401.2896
Zero-point vibrational energy (Hartree): 0.191956
Internal energy at 0 K (Hartree): -404.345496
Internal energy at 298.15 K (Hartree): -404.335344
Enthalpy at 298.15 K (Hartree): -404.3344
Free energy at 298.15 K (Hartree): -404.380573
Heat capacity at 298.15 K (cal/mol K): 37.194
Atomization energy at 0 K (kcal/mol): -2049.5090274271
Atomization energy at 298.15 K (kcal/mol): -2062.6911089901
Atomization enthalpy at 298.15 K (kcal/mol): -2075.139005023
Atomization free energy at 298.15 K (kcal/mol): -1901.9007128661