Geometry & MOs

Info

ID:	1739
PubChem CID:	4966
Reduced:	BrO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	271.96842
ΔH_f, kcal/mol:	-131.85
Dipole, Da:	2.73
IP(EA), eV:	-10.01(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-bromoacetyl)phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CBr)OCC(=O)O

DOS

IR

Vibrations