Geometry & MOs

Info

ID:	374552
PubChem CID:	131331467
Reduced:	BrOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	283.98705
ΔH_f, kcal/mol:	-15.38
Dipole, Da:	1.76
IP(EA), eV:	-8.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-7-ethyl-3-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=C2C=CSC2=C(C=C1CBr)OC

DOS

IR

Vibrations