Geometry & MOs

Info

ID:	373318
PubChem CID:	131313184
Reduced:	BrClOC8H8 (1)
Stoich.:	ABCD8E8 (1)
Weight, g/mol:	197.014664
ΔH_f, kcal/mol:	-28.09
Dipole, Da:	3.59
IP(EA), eV:	-9.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-3,6-dihydro-2H-thieno[3,2-b]pyridine-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)Br)OC

DOS

IR

Vibrations