Molecule SMILES: NC(=[NH2+])COCC([O-])=O
Rotational constants A, B, C (GHz): 3.76277, 0.91793, 0.78534
Dipole moment mu (Debye): 9.4195
Isotropic polarizability alpha (Bohr^3): 67.64
HOMO energy (Hartree): -0.2368
LUMO energy (Hartree): 0.0031
HOMO-LUMO gap (Hartree): 0.24
Electronic spatial extent r2 (Bohr^2): 1407.9144
Zero-point vibrational energy (Hartree): 0.134761
Internal energy at 0 K (Hartree): -492.315118
Internal energy at 298.15 K (Hartree): -492.305756
Enthalpy at 298.15 K (Hartree): -492.304812
Free energy at 298.15 K (Hartree): -492.350075
Heat capacity at 298.15 K (cal/mol K): 33.623
Atomization energy at 0 K (kcal/mol): -1609.175921983
Atomization energy at 298.15 K (kcal/mol): -1618.409089409
Atomization enthalpy at 298.15 K (kcal/mol): -1627.8920054171
Atomization free energy at 298.15 K (kcal/mol): -1494.099556509