Molecule SMILES: CC(C)N(C)C(=O)N
Rotational constants A, B, C (GHz): 3.05389, 1.45308, 1.25685
Dipole moment mu (Debye): 3.5447
Isotropic polarizability alpha (Bohr^3): 72.24
HOMO energy (Hartree): -0.2276
LUMO energy (Hartree): 0.0624
HOMO-LUMO gap (Hartree): 0.29
Electronic spatial extent r2 (Bohr^2): 1084.0968
Zero-point vibrational energy (Hartree): 0.176126
Internal energy at 0 K (Hartree): -382.36611
Internal energy at 298.15 K (Hartree): -382.356248
Enthalpy at 298.15 K (Hartree): -382.355304
Free energy at 298.15 K (Hartree): -382.400801
Heat capacity at 298.15 K (cal/mol K): 35.587
Atomization energy at 0 K (kcal/mol): -1817.688377557
Atomization energy at 298.15 K (kcal/mol): -1829.274076224
Atomization enthalpy at 298.15 K (kcal/mol): -1840.536607756
Atomization free energy at 298.15 K (kcal/mol): -1685.342336894