Geometry & MOs

Info

ID:	375143
PubChem CID:	131472652
Reduced:	BrFON2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-19.36
Dipole, Da:	4.81
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-4-cyano-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1/C(=N\N)/C2=CC(=C(C=C2O1)Br)F

DOS

IR

Vibrations