Molecule SMILES: CC1N(C)C11COC1
Rotational constants A, B, C (GHz): 3.3032, 1.61427, 1.44541
Dipole moment mu (Debye): 2.0851
Isotropic polarizability alpha (Bohr^3): 71.91
HOMO energy (Hartree): -0.2268
LUMO energy (Hartree): 0.0699
HOMO-LUMO gap (Hartree): 0.2967
Electronic spatial extent r2 (Bohr^2): 972.7195
Zero-point vibrational energy (Hartree): 0.164186
Internal energy at 0 K (Hartree): -365.006267
Internal energy at 298.15 K (Hartree): -364.997741
Enthalpy at 298.15 K (Hartree): -364.996797
Free energy at 298.15 K (Hartree): -365.039113
Heat capacity at 298.15 K (cal/mol K): 31.063
Atomization energy at 0 K (kcal/mol): -1740.830447728
Atomization energy at 298.15 K (kcal/mol): -1752.3665731841
Atomization enthalpy at 298.15 K (kcal/mol): -1763.036108711
Atomization free energy at 298.15 K (kcal/mol): -1614.320240765