Geometry & MOs

Info

ID:	374791
PubChem CID:	131344647
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-51.77
Dipole, Da:	2.86
IP(EA), eV:	-9.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-hydroxy-4-methoxy-1-benzothiophen-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1Cl)C(C#N)O)OC

DOS

IR

Vibrations