Molecule SMILES: CN(C)C(=O)CC1CC1
Rotational constants A, B, C (GHz): 3.658, 0.84662, 0.73755
Dipole moment mu (Debye): 3.2702
Isotropic polarizability alpha (Bohr^3): 84.95
HOMO energy (Hartree): -0.2336
LUMO energy (Hartree): 0.0361
HOMO-LUMO gap (Hartree): 0.2696
Electronic spatial extent r2 (Bohr^2): 1621.0577
Zero-point vibrational energy (Hartree): 0.192823
Internal energy at 0 K (Hartree): -404.364206
Internal energy at 298.15 K (Hartree): -404.353663
Enthalpy at 298.15 K (Hartree): -404.352719
Free energy at 298.15 K (Hartree): -404.400927
Heat capacity at 298.15 K (cal/mol K): 37.204
Atomization energy at 0 K (kcal/mol): -2061.249720817
Atomization energy at 298.15 K (kcal/mol): -2074.186446361
Atomization enthalpy at 298.15 K (kcal/mol): -2086.634342394
Atomization free energy at 298.15 K (kcal/mol): -1914.673031052