Geometry & MOs

Info

ID:	376858
PubChem CID:	134222887
Reduced:	FOPC25H29 (1)
Stoich.:	ABCD25E29 (1)
Weight, g/mol:	482.152624
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	8.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941879
Charge, e:	1

Chem-info

IUPAC name:

[4-(3-(18F)fluoranylpropoxy)phenyl]-diphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium

Drug info:

PubChemData

Smile

CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OCC[18F]

DOS

IR

Vibrations