Geometry & MOs

Info

ID:	372340
PubChem CID:	131296405
Reduced:	NOSH9C12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	215.040485
ΔH_f, kcal/mol:	28.56
Dipole, Da:	5.52
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-formyl-5-methyl-1-benzothiophen-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C=CS2)C=O)CC#N

DOS

IR

Vibrations