Geometry & MOs

Info

ID:	373573
PubChem CID:	131317454
Reduced:	ON4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	346.90324
ΔH_f, kcal/mol:	65.21
Dipole, Da:	4.2
IP(EA), eV:	-10.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(chloromethyl)-5-iodo-1-benzothiophen-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CCC1=NON=C1CC(C#N)N

DOS

IR

Vibrations