Molecule SMILES: CCCC(N)C(F)(F)F
Rotational constants A, B, C (GHz): 2.87684, 0.85625, 0.77258
Dipole moment mu (Debye): 0.9789
Isotropic polarizability alpha (Bohr^3): 64.74
HOMO energy (Hartree): -0.2564
LUMO energy (Hartree): 0.0791
HOMO-LUMO gap (Hartree): 0.3355
Electronic spatial extent r2 (Bohr^2): 1519.3915
Zero-point vibrational energy (Hartree): 0.155011
Internal energy at 0 K (Hartree): -550.726104
Internal energy at 298.15 K (Hartree): -550.716029
Enthalpy at 298.15 K (Hartree): -550.715084
Free energy at 298.15 K (Hartree): -550.761861
Heat capacity at 298.15 K (cal/mol K): 36.09
Atomization energy at 0 K (kcal/mol): -1725.312777667
Atomization energy at 298.15 K (kcal/mol): -1735.8762641731
Atomization enthalpy at 298.15 K (kcal/mol): -1746.5445446821
Atomization free energy at 298.15 K (kcal/mol): -1597.937235793