Molecule SMILES: NC(=[NH2+])NCC([O-])=O
Rotational constants A, B, C (GHz): 5.21551, 1.03465, 0.87059
Dipole moment mu (Debye): 7.5305
Isotropic polarizability alpha (Bohr^3): 61.15
HOMO energy (Hartree): -0.2434
LUMO energy (Hartree): 0.0213
HOMO-LUMO gap (Hartree): 0.2648
Electronic spatial extent r2 (Bohr^2): 1232.1423
Zero-point vibrational energy (Hartree): 0.119311
Internal energy at 0 K (Hartree): -433.1682
Internal energy at 298.15 K (Hartree): -433.159784
Enthalpy at 298.15 K (Hartree): -433.15884
Free energy at 298.15 K (Hartree): -433.201838
Heat capacity at 298.15 K (cal/mol K): 30.369
Atomization energy at 0 K (kcal/mol): -1408.903287088
Atomization energy at 298.15 K (kcal/mol): -1416.952345031
Atomization enthalpy at 298.15 K (kcal/mol): -1425.249896538
Atomization free energy at 298.15 K (kcal/mol): -1308.759753287