Geometry & MOs

Info

ID:	223734
PubChem CID:	85335496
Reduced:	F3O7C27H29 (1)
Stoich.:	A3B7C27D29 (1)
Weight, g/mol:	521.200068
ΔH_f, kcal/mol:	-403.85
Dipole, Da:	12.36
IP(EA), eV:	-9.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-2-(6-methylpyridin-2-yl)-4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OCF)OC(=O)C5=CC=CO5)C)O)F)C)F

DOS

IR

Vibrations