Molecule SMILES: CCN(C)C(=O)NC
Rotational constants A, B, C (GHz): 3.69239, 1.31347, 1.05184
Dipole moment mu (Debye): 3.5913
Isotropic polarizability alpha (Bohr^3): 73.55
HOMO energy (Hartree): -0.2245
LUMO energy (Hartree): 0.0693
HOMO-LUMO gap (Hartree): 0.2938
Electronic spatial extent r2 (Bohr^2): 1190.6834
Zero-point vibrational energy (Hartree): 0.175786
Internal energy at 0 K (Hartree): -382.359014
Internal energy at 298.15 K (Hartree): -382.348614
Enthalpy at 298.15 K (Hartree): -382.34767
Free energy at 298.15 K (Hartree): -382.395295
Heat capacity at 298.15 K (cal/mol K): 35.142
Atomization energy at 0 K (kcal/mol): -1813.235573693
Atomization energy at 298.15 K (kcal/mol): -1824.483672518
Atomization enthalpy at 298.15 K (kcal/mol): -1835.74620405
Atomization free energy at 298.15 K (kcal/mol): -1681.88727234