Geometry & MOs

Info

ID:	77736
PubChem CID:	49658793
Reduced:	F2O2N5H15C19 (1)
Stoich.:	A2B2C5D15E19 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	-2.7
Dipole, Da:	6.35
IP(EA), eV:	-9.04(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations