Molecule SMILES: CC(C=O)N(C)C=O
Rotational constants A, B, C (GHz): 3.92165, 1.16608, 1.13008
Dipole moment mu (Debye): 1.6147
Isotropic polarizability alpha (Bohr^3): 66.99
HOMO energy (Hartree): -0.2497
LUMO energy (Hartree): -0.0436
HOMO-LUMO gap (Hartree): 0.2061
Electronic spatial extent r2 (Bohr^2): 1106.9642
Zero-point vibrational energy (Hartree): 0.139389
Internal energy at 0 K (Hartree): -401.031473
Internal energy at 298.15 K (Hartree): -401.022166
Enthalpy at 298.15 K (Hartree): -401.021221
Free energy at 298.15 K (Hartree): -401.066101
Heat capacity at 298.15 K (cal/mol K): 31.628
Atomization energy at 0 K (kcal/mol): -1620.314206733
Atomization energy at 298.15 K (kcal/mol): -1629.5825146631
Atomization enthalpy at 298.15 K (kcal/mol): -1639.0654306711
Atomization free energy at 298.15 K (kcal/mol): -1508.037158908