Geometry & MOs

Info

ID:	371978
PubChem CID:	131283715
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	278.93535
ΔH_f, kcal/mol:	21.31
Dipole, Da:	4.39
IP(EA), eV:	-8.96(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-5-formyl-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C1)OC(=C2)C(CN)C#N

DOS

IR

Vibrations