Geometry & MOs

Info

ID:	374059
PubChem CID:	131323083
Reduced:	BrNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	303.93243
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	2.33
IP(EA), eV:	-8.34(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(chloromethyl)-7-ethoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1)C=CC(=C2OC)Br

DOS

IR

Vibrations