Geometry & MOs

Info

ID:	374784
PubChem CID:	131343484
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	280.951
ΔH_f, kcal/mol:	21.93
Dipole, Da:	1.43
IP(EA), eV:	-9.45(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-6-(hydroxymethyl)-1-benzothiophen-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=CN2CC=O)Cl

DOS

IR

Vibrations