Molecule SMILES: CN(CCC([O-])=O)C=[NH2+]
Rotational constants A, B, C (GHz): 3.04699, 0.98404, 0.7859
Dipole moment mu (Debye): 8.6177
Isotropic polarizability alpha (Bohr^3): 76.33
HOMO energy (Hartree): -0.223
LUMO energy (Hartree): 0.0148
HOMO-LUMO gap (Hartree): 0.2378
Electronic spatial extent r2 (Bohr^2): 1440.7219
Zero-point vibrational energy (Hartree): 0.157829
Internal energy at 0 K (Hartree): -456.353703
Internal energy at 298.15 K (Hartree): -456.343776
Enthalpy at 298.15 K (Hartree): -456.342831
Free energy at 298.15 K (Hartree): -456.389657
Heat capacity at 298.15 K (cal/mol K): 35.13
Atomization energy at 0 K (kcal/mol): -1769.721589597
Atomization energy at 298.15 K (kcal/mol): -1780.377947435
Atomization enthalpy at 298.15 K (kcal/mol): -1791.046227944
Atomization free energy at 298.15 K (kcal/mol): -1642.155912496