Geometry & MOs

Info

ID:	375313
PubChem CID:	131499915
Reduced:	FNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	275.93568
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	4.1
IP(EA), eV:	-8.62(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-7-(cyanomethyl)-1-benzothiophene-4-carbonitrile

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(CCF)N

DOS

IR

Vibrations