Geometry & MOs

Info

ID:	374489
PubChem CID:	131330382
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	237.005991
ΔH_f, kcal/mol:	-155.94
Dipole, Da:	6.29
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-3-formyl-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1CO)C(F)(F)F)N=CN2

DOS

IR

Vibrations