Geometry & MOs

Info

ID:	372854
PubChem CID:	131306017
Reduced:	NSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-14.71
Dipole, Da:	6.7
IP(EA), eV:	-8.87(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-methoxy-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC(=C2C#N)CO

DOS

IR

Vibrations