Geometry & MOs

Info

ID:	374167
PubChem CID:	131324766
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	342.9164
ΔH_f, kcal/mol:	0.47
Dipole, Da:	3.61
IP(EA), eV:	-8.33(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyano-4-iodo-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

CN1CCOC2=C1C=C(C=C2)C=CCN

DOS

IR

Vibrations