Geometry & MOs

Info

ID:	373817
PubChem CID:	131320339
Reduced:	ClO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	284.00481
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	7.1
IP(EA), eV:	-9.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-bromo-2-oxopropyl)-4-methylphenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC(=O)O)C(C(=O)C)Cl

DOS

IR

Vibrations