Molecule SMILES: CN1CCCC(O)C1=O
Rotational constants A, B, C (GHz): 2.16332, 1.72472, 1.01059
Dipole moment mu (Debye): 4.1193
Isotropic polarizability alpha (Bohr^3): 76.21
HOMO energy (Hartree): -0.2423
LUMO energy (Hartree): 0.0182
HOMO-LUMO gap (Hartree): 0.2605
Electronic spatial extent r2 (Bohr^2): 1185.8571
Zero-point vibrational energy (Hartree): 0.172657
Internal energy at 0 K (Hartree): -440.335491
Internal energy at 298.15 K (Hartree): -440.326705
Enthalpy at 298.15 K (Hartree): -440.325761
Free energy at 298.15 K (Hartree): -440.368928
Heat capacity at 298.15 K (cal/mol K): 33.177
Atomization energy at 0 K (kcal/mol): -1906.897567033
Atomization energy at 298.15 K (kcal/mol): -1919.1590928931
Atomization enthalpy at 298.15 K (kcal/mol): -1930.420996916
Atomization free energy at 298.15 K (kcal/mol): -1771.375075812