Geometry & MOs

Info

ID:	77731
PubChem CID:	49658779
Reduced:	FO4N5H18C20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	343.029459
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	7.28
IP(EA), eV:	-8.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations