Geometry & MOs

Info

ID:	372892
PubChem CID:	131306612
Reduced:	N2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	298.91711
ΔH_f, kcal/mol:	25.48
Dipole, Da:	2.8
IP(EA), eV:	-9.15(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(bromomethyl)-5-chloro-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CC(CNC1)/C=C\CC#N

DOS

IR

Vibrations