Geometry & MOs

Info

ID:	373985
PubChem CID:	131322046
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	283.91428
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	4.18
IP(EA), eV:	-9.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-formyl-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C(C1)(C#N)O)OC=C2

DOS

IR

Vibrations