Molecule SMILES: CC(=O)N(C)C(=O)N
Rotational constants A, B, C (GHz): 3.30919, 1.80152, 1.18377
Dipole moment mu (Debye): 2.2489
Isotropic polarizability alpha (Bohr^3): 62.85
HOMO energy (Hartree): -0.264
LUMO energy (Hartree): -0.0083
HOMO-LUMO gap (Hartree): 0.2557
Electronic spatial extent r2 (Bohr^2): 978.4504
Zero-point vibrational energy (Hartree): 0.129726
Internal energy at 0 K (Hartree): -417.138616
Internal energy at 298.15 K (Hartree): -417.129872
Enthalpy at 298.15 K (Hartree): -417.128928
Free energy at 298.15 K (Hartree): -417.17218
Heat capacity at 298.15 K (cal/mol K): 31.147
Atomization energy at 0 K (kcal/mol): -1538.9432321761
Atomization energy at 298.15 K (kcal/mol): -1547.67564742
Atomization enthalpy at 298.15 K (kcal/mol): -1556.566194932
Atomization free energy at 298.15 K (kcal/mol): -1432.375888742