Geometry & MOs

Info

ID:	376857
PubChem CID:	134222886
Reduced:	FPO3H27C29 (1)
Stoich.:	ABC3D27E29 (1)
Weight, g/mol:	394.19654
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	17.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805191
Charge, e:	1

Chem-info

IUPAC name:

[4-(2-(18F)fluoranylethoxy)phenyl]-pentyl-diphenylphosphanium

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC(=C4)OCC[18F]

DOS

IR

Vibrations