Geometry & MOs

Info

ID:	373333
PubChem CID:	131313379
Reduced:	ClN3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	233.014664
ΔH_f, kcal/mol:	25.99
Dipole, Da:	3.35
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-cyano-4-hydroxy-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)CCC2=NC(=CC=C2)Cl

DOS

IR

Vibrations