Geometry & MOs

Info

ID:	161846
PubChem CID:	57392829
Reduced:	FNO4H30C31 (1)
Stoich.:	ABC4D30E31 (1)
Weight, g/mol:	477.207072
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	5.84
IP(EA), eV:	-8.55(-0.64)
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-phenylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N(CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=CC=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations