Geometry & MOs

Info

ID:	228880
PubChem CID:	87566061
Reduced:	BrPO6C14H16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	363.97114
ΔH_f, kcal/mol:	-242.16
Dipole, Da:	3.72
IP(EA), eV:	-9.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-1,3-benzodioxole-5-carbonyl)-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(=O)C1=COC(O1)C2=CC=CC=C2Br)OCC

DOS

IR

Vibrations