Geometry & MOs

Info

ID:	372744
PubChem CID:	131303854
Reduced:	SN5C8H9 (1)
Stoich.:	AB5C8D9 (1)
Weight, g/mol:	298.0027
ΔH_f, kcal/mol:	101.41
Dipole, Da:	2.1
IP(EA), eV:	-8.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-6-ethoxy-7-ethyl-1-benzothiophene

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1)N)C2=NNN=N2

DOS

IR

Vibrations