Molecule SMILES: CCCCC(=O)C(=O)N
Rotational constants A, B, C (GHz): 4.43511, 0.64524, 0.57113
Dipole moment mu (Debye): 1.1109
Isotropic polarizability alpha (Bohr^3): 76.96
HOMO energy (Hartree): -0.2389
LUMO energy (Hartree): -0.0604
HOMO-LUMO gap (Hartree): 0.1785
Electronic spatial extent r2 (Bohr^2): 1939.0929
Zero-point vibrational energy (Hartree): 0.168509
Internal energy at 0 K (Hartree): -440.348967
Internal energy at 298.15 K (Hartree): -440.338256
Enthalpy at 298.15 K (Hartree): -440.337312
Free energy at 298.15 K (Hartree): -440.386118
Heat capacity at 298.15 K (cal/mol K): 37.395
Atomization energy at 0 K (kcal/mol): -1915.3538783171
Atomization energy at 298.15 K (kcal/mol): -1926.407449352
Atomization enthalpy at 298.15 K (kcal/mol): -1937.669353375
Atomization free energy at 298.15 K (kcal/mol): -1782.1619555221