Geometry & MOs

Info

ID:	372722
PubChem CID:	131303253
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	82.25
Dipole, Da:	4.12
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-methyl-1-benzothiophen-4-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=C1CC2=CC=CC=N2)N)C#N

DOS

IR

Vibrations