Geometry & MOs

Info

ID:	374044
PubChem CID:	131322941
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	292.98738
ΔH_f, kcal/mol:	42.8
Dipole, Da:	4.77
IP(EA), eV:	-8.85(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(bromomethyl)-3-ethyl-1-benzothiophen-7-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CSC=C1C(CC#N)CN

DOS

IR

Vibrations