Geometry & MOs

Info

ID:	193767
PubChem CID:	78434619
Reduced:	FNO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	411.163944
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	2.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753573
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-fluorophenyl)-1-phenylethanol

Drug info:

PubChemData

Smile

C1COCC[NH+]1CC(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations