Molecule SMILES: NC(=[NH2+])CCCC([O-])=O
Rotational constants A, B, C (GHz): 3.61509, 0.87776, 0.74846
Dipole moment mu (Debye): 9.1685
Isotropic polarizability alpha (Bohr^3): 73.88
HOMO energy (Hartree): -0.2311
LUMO energy (Hartree): 0.0069
HOMO-LUMO gap (Hartree): 0.238
Electronic spatial extent r2 (Bohr^2): 1486.8377
Zero-point vibrational energy (Hartree): 0.15942
Internal energy at 0 K (Hartree): -456.402603
Internal energy at 298.15 K (Hartree): -456.393064
Enthalpy at 298.15 K (Hartree): -456.39212
Free energy at 298.15 K (Hartree): -456.437443
Heat capacity at 298.15 K (cal/mol K): 35.03
Atomization energy at 0 K (kcal/mol): -1800.406779697
Atomization energy at 298.15 K (kcal/mol): -1811.3066110271
Atomization enthalpy at 298.15 K (kcal/mol): -1821.975519045
Atomization free energy at 298.15 K (kcal/mol): -1672.14205757