Geometry & MOs

Info

ID:	84312
PubChem CID:	49865684
Reduced:	BrPO4C32H34 (1)
Stoich.:	ABC4D32E34 (1)
Weight, g/mol:	732.29431
ΔH_f, kcal/mol:	-71.43
Dipole, Da:	23.37
IP(EA), eV:	-6.92(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecyl-triphenylphosphanium;bromide

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

DOS

IR

Vibrations