Geometry & MOs

Info

ID:	77734
PubChem CID:	49658790
Reduced:	FO2N5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	411.109817
ΔH_f, kcal/mol:	42.8
Dipole, Da:	7.44
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3-chloro-4-methoxyphenyl)-5-methyltriazol-4-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(N=N2)C3=NC(=NO3)C4=CC(=C(C=C4)OC)F)C

DOS

IR

Vibrations