Geometry & MOs

Info

ID:	372924
PubChem CID:	131307095
Reduced:	ON4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	75.52
Dipole, Da:	5.76
IP(EA), eV:	-9.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-ethoxy-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CN2C=C(C(=N2)C#N)O

DOS

IR

Vibrations