Geometry & MOs

Info

ID:	374449
PubChem CID:	131329711
Reduced:	OSN2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	224.021976
ΔH_f, kcal/mol:	27.57
Dipole, Da:	3.8
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-6-(difluoromethyl)-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(SC2=CC=CC(=C21)C#N)N

DOS

IR

Vibrations