Geometry & MOs

Info

ID:	288097
PubChem CID:	104311007
Reduced:	OBr2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	429.86546
ΔH_f, kcal/mol:	61.48
Dipole, Da:	3.44
IP(EA), eV:	-9.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[3-(3,5-dibromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

C1CC(C1)(CC2=NC(=NO2)C3=C(C=C(C=N3)Br)Br)CN

DOS

IR

Vibrations