Molecule SMILES: NC(=[NH2+])CCC([O-])=O
Rotational constants A, B, C (GHz): 4.69758, 1.1932, 1.014
Dipole moment mu (Debye): 8.2044
Isotropic polarizability alpha (Bohr^3): 62.74
HOMO energy (Hartree): -0.2362
LUMO energy (Hartree): 0.0061
HOMO-LUMO gap (Hartree): 0.2423
Electronic spatial extent r2 (Bohr^2): 1114.8911
Zero-point vibrational energy (Hartree): 0.130726
Internal energy at 0 K (Hartree): -417.115868
Internal energy at 298.15 K (Hartree): -417.107538
Enthalpy at 298.15 K (Hartree): -417.106593
Free energy at 298.15 K (Hartree): -417.149247
Heat capacity at 298.15 K (cal/mol K): 30.169
Atomization energy at 0 K (kcal/mol): -1524.668657444
Atomization energy at 298.15 K (kcal/mol): -1533.660861414
Atomization enthalpy at 298.15 K (kcal/mol): -1542.550781417
Atomization free energy at 298.15 K (kcal/mol): -1417.985224845