Geometry & MOs

Info

ID:	372852
PubChem CID:	131306013
Reduced:	NSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	5.35
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(S1)C=CC(=C2)CO)C#N

DOS

IR

Vibrations