Geometry & MOs

Info

ID:	129236
PubChem CID:	51072022
Reduced:	ClON2F3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	192.975298
ΔH_f, kcal/mol:	-188.86
Dipole, Da:	3.84
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CNC1)OC2=C(C=C(C=N2)C(F)(F)F)Cl

DOS

IR

Vibrations