Molecule SMILES: CC(C)NC(=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 3.06082, 0.92793, 0.79901
Dipole moment mu (Debye): 9.1228
Isotropic polarizability alpha (Bohr^3): 74.99
HOMO energy (Hartree): -0.2279
LUMO energy (Hartree): -0.0288
HOMO-LUMO gap (Hartree): 0.1991
Electronic spatial extent r2 (Bohr^2): 1479.7738
Zero-point vibrational energy (Hartree): 0.157851
Internal energy at 0 K (Hartree): -456.399811
Internal energy at 298.15 K (Hartree): -456.389728
Enthalpy at 298.15 K (Hartree): -456.388783
Free energy at 298.15 K (Hartree): -456.435829
Heat capacity at 298.15 K (cal/mol K): 36.171
Atomization energy at 0 K (kcal/mol): -1798.654774569
Atomization energy at 298.15 K (kcal/mol): -1809.2132410031
Atomization enthalpy at 298.15 K (kcal/mol): -1819.881521512
Atomization free energy at 298.15 K (kcal/mol): -1671.129258044