Geometry & MOs

Info

ID:	83351
PubChem CID:	49857481
Reduced:	BrPO2H23C26 (1)
Stoich.:	ABC2D23E26 (1)
Weight, g/mol:	478.06973
ΔH_f, kcal/mol:	30.31
Dipole, Da:	19.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796130
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4-methoxyphenyl)methyl-triphenylphosphanium;bromide

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

DOS

IR

Vibrations