Molecule SMILES: CCN(C)C(=O)N(C)C
Rotational constants A, B, C (GHz): 2.76501, 1.12878, 0.89546
Dipole moment mu (Debye): 3.0982
Isotropic polarizability alpha (Bohr^3): 84.65
HOMO energy (Hartree): -0.2245
LUMO energy (Hartree): 0.053
HOMO-LUMO gap (Hartree): 0.2775
Electronic spatial extent r2 (Bohr^2): 1417.7511
Zero-point vibrational energy (Hartree): 0.204023
Internal energy at 0 K (Hartree): -421.634627
Internal energy at 298.15 K (Hartree): -421.623247
Enthalpy at 298.15 K (Hartree): -421.622303
Free energy at 298.15 K (Hartree): -421.671191
Heat capacity at 298.15 K (cal/mol K): 39.915
Atomization energy at 0 K (kcal/mol): -2081.9945408481
Atomization energy at 298.15 K (kcal/mol): -2095.293966594
Atomization enthalpy at 298.15 K (kcal/mol): -2108.334858632
Atomization free energy at 298.15 K (kcal/mol): -1928.325744365