Geometry & MOs

Info

ID:	124424
PubChem CID:	50883030
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-170.23
Dipole, Da:	2.18
IP(EA), eV:	-9.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-3-bromo-5-ethylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations