Geometry & MOs

Info

ID:	373422
PubChem CID:	131315032
Reduced:	BrN4C8H11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	55.9
Dipole, Da:	4.15
IP(EA), eV:	-8.7(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-3-methyl-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C(=N1)N)Br)CC#N

DOS

IR

Vibrations