Geometry & MOs

Info

ID:	279463
PubChem CID:	103844011
Reduced:	BrClON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	348.96175
ΔH_f, kcal/mol:	73.57
Dipole, Da:	1.62
IP(EA), eV:	-8.55(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations