Geometry & MOs

Info

ID:	374228
PubChem CID:	131325626
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	342.9164
ΔH_f, kcal/mol:	-24.44
Dipole, Da:	4.26
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-3-iodo-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)C)C(=O)N2CCNCC2

DOS

IR

Vibrations