Geometry & MOs

Info

ID:	372851
PubChem CID:	131306012
Reduced:	NSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-13.05
Dipole, Da:	5.78
IP(EA), eV:	-8.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)CO)C(=CS2)C#N

DOS

IR

Vibrations