Molecule SMILES: CC(=N)NC(=O)N(C)C
Rotational constants A, B, C (GHz): 3.22685, 1.01048, 0.78318
Dipole moment mu (Debye): 2.2382
Isotropic polarizability alpha (Bohr^3): 81.64
HOMO energy (Hartree): -0.2372
LUMO energy (Hartree): 0.0138
HOMO-LUMO gap (Hartree): 0.251
Electronic spatial extent r2 (Bohr^2): 1476.1129
Zero-point vibrational energy (Hartree): 0.169888
Internal energy at 0 K (Hartree): -436.514543
Internal energy at 298.15 K (Hartree): -436.50378
Enthalpy at 298.15 K (Hartree): -436.502835
Free energy at 298.15 K (Hartree): -436.551525
Heat capacity at 298.15 K (cal/mol K): 37.11
Atomization energy at 0 K (kcal/mol): -1858.379198662
Atomization energy at 298.15 K (kcal/mol): -1869.39951172
Atomization enthalpy at 298.15 K (kcal/mol): -1880.660788234
Atomization free energy at 298.15 K (kcal/mol): -1724.72103668