Geometry & MOs

Info

ID:	374429
PubChem CID:	131329144
Reduced:	ClN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	236.965127
ΔH_f, kcal/mol:	13.14
Dipole, Da:	5.25
IP(EA), eV:	-8.36(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-cyano-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(N1C)C=CC(=C2)Cl)N

DOS

IR

Vibrations