Geometry & MOs

Info

ID:	373410
PubChem CID:	131314780
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	303.93243
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	2.84
IP(EA), eV:	-8.84(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-(chloromethyl)-6-ethoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=C(C=C1)[C@H](CCC2)N)O

DOS

IR

Vibrations