Geometry & MOs

Info

ID:	248741
PubChem CID:	103084043
Reduced:	BrN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	5.47
IP(EA), eV:	-9.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations