Molecule SMILES: CCCNCC(F)(F)F
Rotational constants A, B, C (GHz): 3.67758, 0.67395, 0.65405
Dipole moment mu (Debye): 2.7185
Isotropic polarizability alpha (Bohr^3): 65.79
HOMO energy (Hartree): -0.2361
LUMO energy (Hartree): 0.0721
HOMO-LUMO gap (Hartree): 0.3082
Electronic spatial extent r2 (Bohr^2): 1751.5806
Zero-point vibrational energy (Hartree): 0.154956
Internal energy at 0 K (Hartree): -550.71442
Internal energy at 298.15 K (Hartree): -550.704388
Enthalpy at 298.15 K (Hartree): -550.703444
Free energy at 298.15 K (Hartree): -550.750982
Heat capacity at 298.15 K (cal/mol K): 35.199
Atomization energy at 0 K (kcal/mol): -1717.9809625111
Atomization energy at 298.15 K (kcal/mol): -1728.571431904
Atomization enthalpy at 298.15 K (kcal/mol): -1739.240339922
Atomization free energy at 298.15 K (kcal/mol): -1591.1105653821