Geometry & MOs

Info

ID:	374405
PubChem CID:	131328535
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	283.91428
ΔH_f, kcal/mol:	16.53
Dipole, Da:	2.44
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-formyl-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C#N)NC(=C2)[C@@H](CCO)N

DOS

IR

Vibrations