Geometry & MOs

Info

ID:	46276
PubChem CID:	10523670
Reduced:	BrO2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	233.122414
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	5.19
IP(EA), eV:	-8.7(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxy-6-phospha-1-phosphoniabicyclo[4.4.3]tridecane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(=C(C(=O)O2)Br)Br)OC

DOS

IR

Vibrations