Geometry & MOs

Info

ID:	374099
PubChem CID:	131323692
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	298.91711
ΔH_f, kcal/mol:	-4.73
Dipole, Da:	3.75
IP(EA), eV:	-8.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(CN)C1=CC2=C(N1)C=CC(=C2)O

DOS

IR

Vibrations