Geometry & MOs

Info

ID:	203131
PubChem CID:	79783027
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	339.968544
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	3.91
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(O1)COC2=CN=C(C=C2)CNC(C)C

DOS

IR

Vibrations