Geometry & MOs

Info

ID:	248667
PubChem CID:	103083431
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	325.99022
ΔH_f, kcal/mol:	30.29
Dipole, Da:	1.67
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3CCC(C3)N

DOS

IR

Vibrations