Geometry & MOs

Info

ID:	162155
PubChem CID:	57393785
Reduced:	ClFNO3C29H31 (1)
Stoich.:	ABCD3E29F31 (1)
Weight, g/mol:	492.242436
ΔH_f, kcal/mol:	-121.39
Dipole, Da:	3.2
IP(EA), eV:	-9.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)Cl)CC(COC3=CC=CC=C3C(=O)CCC4=CC=C(C=C4)F)O

DOS

IR

Vibrations