Molecule SMILES: CCNC(=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 4.17668, 1.19668, 0.94152
Dipole moment mu (Debye): 9.0649
Isotropic polarizability alpha (Bohr^3): 64.17
HOMO energy (Hartree): -0.2286
LUMO energy (Hartree): -0.0308
HOMO-LUMO gap (Hartree): 0.1978
Electronic spatial extent r2 (Bohr^2): 1196.837
Zero-point vibrational energy (Hartree): 0.129965
Internal energy at 0 K (Hartree): -417.108035
Internal energy at 298.15 K (Hartree): -417.099234
Enthalpy at 298.15 K (Hartree): -417.09829
Free energy at 298.15 K (Hartree): -417.142582
Heat capacity at 298.15 K (cal/mol K): 30.668
Atomization energy at 0 K (kcal/mol): -1519.753379447
Atomization energy at 298.15 K (kcal/mol): -1528.4500266781
Atomization enthalpy at 298.15 K (kcal/mol): -1537.34057419
Atomization free energy at 298.15 K (kcal/mol): -1413.80287736