Molecule SMILES: CCN(CC([O-])=O)C=[NH2+]
Rotational constants A, B, C (GHz): 2.17808, 1.25767, 0.86984
Dipole moment mu (Debye): 6.1344
Isotropic polarizability alpha (Bohr^3): 74.97
HOMO energy (Hartree): -0.2331
LUMO energy (Hartree): 0.0049
HOMO-LUMO gap (Hartree): 0.2381
Electronic spatial extent r2 (Bohr^2): 1347.3837
Zero-point vibrational energy (Hartree): 0.159056
Internal energy at 0 K (Hartree): -456.388905
Internal energy at 298.15 K (Hartree): -456.37935
Enthalpy at 298.15 K (Hartree): -456.378406
Free energy at 298.15 K (Hartree): -456.424245
Heat capacity at 298.15 K (cal/mol K): 34.124
Atomization energy at 0 K (kcal/mol): -1791.8111614151
Atomization energy at 298.15 K (kcal/mol): -1802.700952601
Atomization enthalpy at 298.15 K (kcal/mol): -1813.369860619
Atomization free energy at 298.15 K (kcal/mol): -1663.860193788