Molecule SMILES: CN(CC([O-])=O)C=[NH2+]
Rotational constants A, B, C (GHz): 3.61239, 1.80752, 1.34443
Dipole moment mu (Debye): 3.5215
Isotropic polarizability alpha (Bohr^3): 61.26
HOMO energy (Hartree): -0.2331
LUMO energy (Hartree): 0.013
HOMO-LUMO gap (Hartree): 0.2461
Electronic spatial extent r2 (Bohr^2): 910.6628
Zero-point vibrational energy (Hartree): 0.131286
Internal energy at 0 K (Hartree): -417.088739
Internal energy at 298.15 K (Hartree): -417.080968
Enthalpy at 298.15 K (Hartree): -417.080024
Free energy at 298.15 K (Hartree): -417.120825
Heat capacity at 298.15 K (cal/mol K): 28.497
Atomization energy at 0 K (kcal/mol): -1507.644965783
Atomization energy at 298.15 K (kcal/mol): -1516.987947284
Atomization enthalpy at 298.15 K (kcal/mol): -1525.878494796
Atomization free energy at 298.15 K (kcal/mol): -1400.150164047