Molecule SMILES: CCCOC1C2CCC12
Rotational constants A, B, C (GHz): 4.01833, 0.78388, 0.76077
Dipole moment mu (Debye): 0.9424
Isotropic polarizability alpha (Bohr^3): 86.44
HOMO energy (Hartree): -0.237
LUMO energy (Hartree): 0.0867
HOMO-LUMO gap (Hartree): 0.3237
Electronic spatial extent r2 (Bohr^2): 1654.1206
Zero-point vibrational energy (Hartree): 0.205417
Internal energy at 0 K (Hartree): -388.256166
Internal energy at 298.15 K (Hartree): -388.246566
Enthalpy at 298.15 K (Hartree): -388.245622
Free energy at 298.15 K (Hartree): -388.2917
Heat capacity at 298.15 K (cal/mol K): 35.409
Atomization energy at 0 K (kcal/mol): -2142.0578198011
Atomization energy at 298.15 K (kcal/mol): -2156.475466585
Atomization enthalpy at 298.15 K (kcal/mol): -2169.516358623
Atomization free energy at 298.15 K (kcal/mol): -1988.358902886