Geometry & MOs

Info

ID:	248668
PubChem CID:	103083472
Reduced:	BrN2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-73.58
Dipole, Da:	2.34
IP(EA), eV:	-9.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)COCC(=O)O

DOS

IR

Vibrations