Geometry & MOs

Info

ID:	372519
PubChem CID:	131299106
Reduced:	IN2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	300.94083
ΔH_f, kcal/mol:	84.62
Dipole, Da:	5.56
IP(EA), eV:	-9.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-3-methoxy-4-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1I)C#N)CC#N

DOS

IR

Vibrations