Geometry & MOs

Info

ID:	401685
PubChem CID:	135052137
Reduced:	BrOPH18C21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	397.03569
ΔH_f, kcal/mol:	24.44
Dipole, Da:	7.57
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-3-bromo-2-hydroxyprop-1-enyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](/C=C(/CBr)\[O-])(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations