Geometry & MOs

Info

ID:	248652
PubChem CID:	103083317
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	408.92484
ΔH_f, kcal/mol:	-2.91
Dipole, Da:	1.97
IP(EA), eV:	-9.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3(COCC3N)C

DOS

IR

Vibrations