Geometry & MOs

Info

ID:	372748
PubChem CID:	131303890
Reduced:	BrOSC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	298.0027
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	3.57
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-4-ethoxy-3-ethyl-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1CBr)SC=C2)OCC

DOS

IR

Vibrations