Geometry & MOs

Info

ID:	248740
PubChem CID:	103084039
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	324.01095
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	4.46
IP(EA), eV:	-9.66(-0.9)
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-methoxypropan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3CCCCC3=O

DOS

IR

Vibrations