Molecule SMILES: C(C(=N)NC(=O)N)O
Rotational constants A, B, C (GHz): 4.34398, 1.2451, 0.97982
Dipole moment mu (Debye): 3.4293
Isotropic polarizability alpha (Bohr^3): 60.98
HOMO energy (Hartree): -0.2512
LUMO energy (Hartree): 0.0081
HOMO-LUMO gap (Hartree): 0.2593
Electronic spatial extent r2 (Bohr^2): 1120.8174
Zero-point vibrational energy (Hartree): 0.1194
Internal energy at 0 K (Hartree): -433.160948
Internal energy at 298.15 K (Hartree): -433.152368
Enthalpy at 298.15 K (Hartree): -433.151424
Free energy at 298.15 K (Hartree): -433.194424
Heat capacity at 298.15 K (cal/mol K): 30.803
Atomization energy at 0 K (kcal/mol): -1404.35259182
Atomization energy at 298.15 K (kcal/mol): -1412.298738287
Atomization enthalpy at 298.15 K (kcal/mol): -1420.596289794
Atomization free energy at 298.15 K (kcal/mol): -1304.107401561