Molecule SMILES: CC1N(C)C(C)C1=O
Rotational constants A, B, C (GHz): 2.52487, 2.07547, 1.42849
Dipole moment mu (Debye): 2.5512
Isotropic polarizability alpha (Bohr^3): 71.84
HOMO energy (Hartree): -0.2128
LUMO energy (Hartree): -0.0205
HOMO-LUMO gap (Hartree): 0.1923
Electronic spatial extent r2 (Bohr^2): 957.3305
Zero-point vibrational energy (Hartree): 0.163078
Internal energy at 0 K (Hartree): -365.057996
Internal energy at 298.15 K (Hartree): -365.048877
Enthalpy at 298.15 K (Hartree): -365.047933
Free energy at 298.15 K (Hartree): -365.091336
Heat capacity at 298.15 K (cal/mol K): 32.88
Atomization energy at 0 K (kcal/mol): -1773.290860789
Atomization energy at 298.15 K (kcal/mol): -1784.454873408
Atomization enthalpy at 298.15 K (kcal/mol): -1795.124408935
Atomization free energy at 298.15 K (kcal/mol): -1647.090643272