Molecule SMILES: CCNC(=O)N(C)C
Rotational constants A, B, C (GHz): 4.10975, 1.14432, 0.92179
Dipole moment mu (Debye): 3.6048
Isotropic polarizability alpha (Bohr^3): 74.45
HOMO energy (Hartree): -0.2252
LUMO energy (Hartree): 0.0674
HOMO-LUMO gap (Hartree): 0.2925
Electronic spatial extent r2 (Bohr^2): 1306.8005
Zero-point vibrational energy (Hartree): 0.175752
Internal energy at 0 K (Hartree): -382.35941
Internal energy at 298.15 K (Hartree): -382.34908
Enthalpy at 298.15 K (Hartree): -382.348136
Free energy at 298.15 K (Hartree): -382.39547
Heat capacity at 298.15 K (cal/mol K): 35.086
Atomization energy at 0 K (kcal/mol): -1813.4840672571
Atomization energy at 298.15 K (kcal/mol): -1824.776091712
Atomization enthalpy at 298.15 K (kcal/mol): -1836.038623244
Atomization free energy at 298.15 K (kcal/mol): -1681.997086415