Geometry & MOs

Info

ID:	374339
PubChem CID:	131327025
Reduced:	OF2N2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	7.01
IP(EA), eV:	-10.0(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-4-(2-carboxyethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1C#N)O)C(F)F)CC#N

DOS

IR

Vibrations