Geometry & MOs

Info

ID:	374110
PubChem CID:	131323836
Reduced:	N5H7C8 (1)
Stoich.:	A5B7C8 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	112.61
Dipole, Da:	6.58
IP(EA), eV:	-9.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-7-methyl-1-benzothiophen-2-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=CN2C=NN=C2C(=C1)C(C#N)N

DOS

IR

Vibrations