Geometry & MOs

Info

ID:	44906
PubChem CID:	10506463
Reduced:	ClNOPF3H20C30 (1)
Stoich.:	ABCDE3F20G30 (1)
Weight, g/mol:	534.100138
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	9.05
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-chloro-1-cyano-2-hydroxy-4-phenyl-2-(trifluoromethyl)but-3-ynyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(C(C#N)([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl)(C(F)(F)F)[O-]

DOS

IR

Vibrations