Geometry & MOs

Info

ID:	372294
PubChem CID:	131295665
Reduced:	BrN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	222.069222
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	2.91
IP(EA), eV:	-9.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Br)C(C#N)N)OC

DOS

IR

Vibrations