Geometry & MOs

Info

ID:	162154
PubChem CID:	57393782
Reduced:	ClFN2O3C35H38 (1)
Stoich.:	ABC2D3E35F38 (1)
Weight, g/mol:	495.19765
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	7.73
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[4-(4-chlorophenyl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]-3-(4-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[N+]2(CCN(CC2)CC(COC3=CC=CC=C3C(=O)CCC4=CC=C(C=C4)F)O)C5=CC=CC=C5.[Cl-]

DOS

IR

Vibrations