Geometry & MOs

Info

ID:	373489
PubChem CID:	131316024
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	281.90986
ΔH_f, kcal/mol:	-33.7
Dipole, Da:	4.88
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-nitro-1-benzothiophene-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C(C)C#N)Br)OC)OC

DOS

IR

Vibrations