Geometry & MOs

Info

ID:	373362
PubChem CID:	131314111
Reduced:	ClNOF5H5C8 (1)
Stoich.:	ABCD5E5F8 (1)
Weight, g/mol:	278.93535
ΔH_f, kcal/mol:	-284.3
Dipole, Da:	4.15
IP(EA), eV:	-10.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-5-formyl-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CN=C(C(=C1OC(F)F)C(F)(F)F)CCl

DOS

IR

Vibrations