Geometry & MOs

Info

ID:	374950
PubChem CID:	131407755
Reduced:	NOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	238.997176
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	3.56
IP(EA), eV:	-7.84(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(chloromethyl)-7-fluoro-1-benzothiophen-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1SC=C2N)OCC

DOS

IR

Vibrations