Molecule SMILES: CC(C)NC(=O)N(C)C
Rotational constants A, B, C (GHz): 3.00795, 0.92013, 0.78793
Dipole moment mu (Debye): 3.4871
Isotropic polarizability alpha (Bohr^3): 85.19
HOMO energy (Hartree): -0.2255
LUMO energy (Hartree): 0.0657
HOMO-LUMO gap (Hartree): 0.2912
Electronic spatial extent r2 (Bohr^2): 1584.9212
Zero-point vibrational energy (Hartree): 0.203682
Internal energy at 0 K (Hartree): -421.651807
Internal energy at 298.15 K (Hartree): -421.640234
Enthalpy at 298.15 K (Hartree): -421.63929
Free energy at 298.15 K (Hartree): -421.688993
Heat capacity at 298.15 K (cal/mol K): 40.631
Atomization energy at 0 K (kcal/mol): -2092.7751454681
Atomization energy at 298.15 K (kcal/mol): -2105.9534619771
Atomization enthalpy at 298.15 K (kcal/mol): -2118.994354015
Atomization free energy at 298.15 K (kcal/mol): -1939.496659583