Molecule SMILES: CN(C)C(=O)NC(=O)N
Rotational constants A, B, C (GHz): 3.36863, 0.96884, 0.80366
Dipole moment mu (Debye): 6.1189
Isotropic polarizability alpha (Bohr^3): 72.45
HOMO energy (Hartree): -0.2389
LUMO energy (Hartree): 0.0205
HOMO-LUMO gap (Hartree): 0.2594
Electronic spatial extent r2 (Bohr^2): 1434.8906
Zero-point vibrational energy (Hartree): 0.146436
Internal energy at 0 K (Hartree): -472.46934
Internal energy at 298.15 K (Hartree): -472.458809
Enthalpy at 298.15 K (Hartree): -472.457865
Free energy at 298.15 K (Hartree): -472.506015
Heat capacity at 298.15 K (cal/mol K): 36.12
Atomization energy at 0 K (kcal/mol): -1693.680676486
Atomization energy at 298.15 K (kcal/mol): -1703.068838635
Atomization enthalpy at 298.15 K (kcal/mol): -1713.1447506481
Atomization free energy at 298.15 K (kcal/mol): -1572.944807341