Geometry & MOs

Info

ID:	83350
PubChem CID:	49857480
Reduced:	PBr2O2H23C26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	477.0619
ΔH_f, kcal/mol:	9.62
Dipole, Da:	20.89
IP(EA), eV:	-6.61(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-bromo-2-hydroxy-4-methoxyphenyl)methyl-triphenylphosphanium

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)Br.[Br-]

DOS

IR

Vibrations