Geometry & MOs

Info

ID:	124425
PubChem CID:	50883031
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	271.96842
ΔH_f, kcal/mol:	-156.53
Dipole, Da:	4.29
IP(EA), eV:	-9.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-3-bromo-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)Br)OC(=O)C)C(=O)O

DOS

IR

Vibrations