Molecule SMILES: CC1N(C)C(C)(C)C1=O
Rotational constants A, B, C (GHz): 1.89612, 1.72076, 1.19027
Dipole moment mu (Debye): 2.4984
Isotropic polarizability alpha (Bohr^3): 82.75
HOMO energy (Hartree): -0.2123
LUMO energy (Hartree): -0.0182
HOMO-LUMO gap (Hartree): 0.1941
Electronic spatial extent r2 (Bohr^2): 1181.5395
Zero-point vibrational energy (Hartree): 0.190562
Internal energy at 0 K (Hartree): -404.352062
Internal energy at 298.15 K (Hartree): -404.34141
Enthalpy at 298.15 K (Hartree): -404.340466
Free energy at 298.15 K (Hartree): -404.386958
Heat capacity at 298.15 K (cal/mol K): 39.02
Atomization energy at 0 K (kcal/mol): -2053.629251521
Atomization energy at 298.15 K (kcal/mol): -2066.4975785841
Atomization enthalpy at 298.15 K (kcal/mol): -2078.945474617
Atomization free energy at 298.15 K (kcal/mol): -1905.907357831