Geometry & MOs

Info

ID:	336664
PubChem CID:	127255671
Reduced:	BrOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	239.96083
ΔH_f, kcal/mol:	-8.94
Dipole, Da:	3.47
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2,3-dimethyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)Br)C

DOS

IR

Vibrations