Molecule SMILES: NC(=O)NC1C(O)C1O
Rotational constants A, B, C (GHz): 2.9347, 1.09334, 1.00377
Dipole moment mu (Debye): 2.3117
Isotropic polarizability alpha (Bohr^3): 65.46
HOMO energy (Hartree): -0.231
LUMO energy (Hartree): 0.044
HOMO-LUMO gap (Hartree): 0.275
Electronic spatial extent r2 (Bohr^2): 1231.8799
Zero-point vibrational energy (Hartree): 0.13533
Internal energy at 0 K (Hartree): -492.283872
Internal energy at 298.15 K (Hartree): -492.27448
Enthalpy at 298.15 K (Hartree): -492.273535
Free energy at 298.15 K (Hartree): -492.318591
Heat capacity at 298.15 K (cal/mol K): 34.63
Atomization energy at 0 K (kcal/mol): -1589.568775769
Atomization energy at 298.15 K (kcal/mol): -1598.783117925
Atomization enthalpy at 298.15 K (kcal/mol): -1608.265406424
Atomization free energy at 298.15 K (kcal/mol): -1474.343063153