Molecule SMILES: CN(C=N)C(=O)CO
Rotational constants A, B, C (GHz): 4.73955, 1.23996, 0.9951
Dipole moment mu (Debye): 2.0034
Isotropic polarizability alpha (Bohr^3): 65.44
HOMO energy (Hartree): -0.2616
LUMO energy (Hartree): -0.0263
HOMO-LUMO gap (Hartree): 0.2353
Electronic spatial extent r2 (Bohr^2): 1122.4845
Zero-point vibrational energy (Hartree): 0.129618
Internal energy at 0 K (Hartree): -417.086522
Internal energy at 298.15 K (Hartree): -417.077612
Enthalpy at 298.15 K (Hartree): -417.076668
Free energy at 298.15 K (Hartree): -417.121916
Heat capacity at 298.15 K (cal/mol K): 30.509
Atomization energy at 0 K (kcal/mol): -1506.25377833
Atomization energy at 298.15 K (kcal/mol): -1514.88202708
Atomization enthalpy at 298.15 K (kcal/mol): -1523.772574592
Atomization free energy at 298.15 K (kcal/mol): -1400.834776366