Molecule SMILES: CN(C)C12CC1OC2
Rotational constants A, B, C (GHz): 3.85342, 1.59601, 1.44536
Dipole moment mu (Debye): 2.0879
Isotropic polarizability alpha (Bohr^3): 71.3
HOMO energy (Hartree): -0.2097
LUMO energy (Hartree): 0.0735
HOMO-LUMO gap (Hartree): 0.2832
Electronic spatial extent r2 (Bohr^2): 955.4481
Zero-point vibrational energy (Hartree): 0.16437
Internal energy at 0 K (Hartree): -364.993
Internal energy at 298.15 K (Hartree): -364.984793
Enthalpy at 298.15 K (Hartree): -364.983849
Free energy at 298.15 K (Hartree): -365.02579
Heat capacity at 298.15 K (cal/mol K): 30.804
Atomization energy at 0 K (kcal/mol): -1732.505285825
Atomization energy at 298.15 K (kcal/mol): -1744.2415866521
Atomization enthalpy at 298.15 K (kcal/mol): -1754.911122179
Atomization free energy at 298.15 K (kcal/mol): -1605.959938358