Geometry & MOs

Info

ID:	374278
PubChem CID:	131326111
Reduced:	BrO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	3.0
IP(EA), eV:	-10.42(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-5-(2-carboxyethyl)benzoic acid

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1)C(=O)O)CBr

DOS

IR

Vibrations