Molecule SMILES: CN(C1CC1)C(=O)CO
Rotational constants A, B, C (GHz): 3.81409, 0.92006, 0.79461
Dipole moment mu (Debye): 4.4636
Isotropic polarizability alpha (Bohr^3): 77.93
HOMO energy (Hartree): -0.2361
LUMO energy (Hartree): 0.0212
HOMO-LUMO gap (Hartree): 0.2574
Electronic spatial extent r2 (Bohr^2): 1464.5013
Zero-point vibrational energy (Hartree): 0.170016
Internal energy at 0 K (Hartree): -440.287515
Internal energy at 298.15 K (Hartree): -440.277813
Enthalpy at 298.15 K (Hartree): -440.276869
Free energy at 298.15 K (Hartree): -440.322694
Heat capacity at 298.15 K (cal/mol K): 35.328
Atomization energy at 0 K (kcal/mol): -1876.792195249
Atomization energy at 298.15 K (kcal/mol): -1888.478922865
Atomization enthalpy at 298.15 K (kcal/mol): -1899.740826888
Atomization free energy at 298.15 K (kcal/mol): -1742.362824706