Molecule SMILES: CC(=[NH2+])NC(=N)C([O-])=O
Rotational constants A, B, C (GHz): 3.4028, 1.05949, 0.81208
Dipole moment mu (Debye): 11.6833
Isotropic polarizability alpha (Bohr^3): 71.02
HOMO energy (Hartree): -0.211
LUMO energy (Hartree): -0.0716
HOMO-LUMO gap (Hartree): 0.1394
Electronic spatial extent r2 (Bohr^2): 1342.4026
Zero-point vibrational energy (Hartree): 0.122573
Internal energy at 0 K (Hartree): -471.254799
Internal energy at 298.15 K (Hartree): -471.245631
Enthalpy at 298.15 K (Hartree): -471.244687
Free energy at 298.15 K (Hartree): -471.289789
Heat capacity at 298.15 K (cal/mol K): 32.28
Atomization energy at 0 K (kcal/mol): -1559.396888031
Atomization energy at 298.15 K (kcal/mol): -1567.8632394591
Atomization enthalpy at 298.15 K (kcal/mol): -1576.753159462
Atomization free energy at 298.15 K (kcal/mol): -1450.974627993