Halogen-directed drug design for Alzheimer’s disease: a combined density functional and molecular docking study

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Table 1 The stoichiometry, electronic energy, enthalpy, Gibbs free energy in Hartree and dipole moment (Debye) of donepezil chair form and its derivatives

Name	Stoichiometry	Electronic energy	Enthalpy	Gibbs free energy	Dipole moment
D_Chair	C₂₄H₂₉NO₃	−1204.887	−1204.887	−1204.970	2.58
D1_Chair	C₂₄H₂₈FNO₃	−1303.572	−1303.571	−1303.656	3.82
D2_Chair	C₂₄H₂₈ClNO₃	−1662.323	−1662.322	−1662.409	4.31
D3_Chair	C₂₄H₂₈BrNO₃	−3766.304	−3766.303	−3766.390	3.78
D4_Chair	C₂₄H₂₈INO₃	−8094.427	−8094.427	−8094.515	3.77
D5_Chair	C₂₅H₂₈F₃NO₃	−1540.040	−1540.038	−1540.132	1.64