Molecule SMILES: CCN(CC)C(=O)CO
Rotational constants A, B, C (GHz): 1.93877, 1.21186, 0.83087
Dipole moment mu (Debye): 4.5437
Isotropic polarizability alpha (Bohr^3): 80.18
HOMO energy (Hartree): -0.2447
LUMO energy (Hartree): 0.0239
HOMO-LUMO gap (Hartree): 0.2687
Electronic spatial extent r2 (Bohr^2): 1467.7748
Zero-point vibrational energy (Hartree): 0.192598
Internal energy at 0 K (Hartree): -441.518301
Internal energy at 298.15 K (Hartree): -441.507537
Enthalpy at 298.15 K (Hartree): -441.506592
Free energy at 298.15 K (Hartree): -441.554699
Heat capacity at 298.15 K (cal/mol K): 38.441
Atomization energy at 0 K (kcal/mol): -2021.2698674091
Atomization energy at 298.15 K (kcal/mol): -2034.0672859551
Atomization enthalpy at 298.15 K (kcal/mol): -2046.514554479
Atomization free energy at 298.15 K (kcal/mol): -1874.2344685651