Molecule SMILES: CC1N(C)C11COC1C
Rotational constants A, B, C (GHz): 2.49489, 1.23568, 1.13199
Dipole moment mu (Debye): 1.8923
Isotropic polarizability alpha (Bohr^3): 82.89
HOMO energy (Hartree): -0.2246
LUMO energy (Hartree): 0.074
HOMO-LUMO gap (Hartree): 0.2986
Electronic spatial extent r2 (Bohr^2): 1255.3984
Zero-point vibrational energy (Hartree): 0.191857
Internal energy at 0 K (Hartree): -404.303384
Internal energy at 298.15 K (Hartree): -404.293348
Enthalpy at 298.15 K (Hartree): -404.292404
Free energy at 298.15 K (Hartree): -404.338097
Heat capacity at 298.15 K (cal/mol K): 36.848
Atomization energy at 0 K (kcal/mol): -2023.083368419
Atomization energy at 298.15 K (kcal/mol): -2036.338241026
Atomization enthalpy at 298.15 K (kcal/mol): -2048.786137059
Atomization free energy at 298.15 K (kcal/mol): -1875.246640582