Geometry & MOs

Info

ID:	77737
PubChem CID:	49658794
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	393.125946
ΔH_f, kcal/mol:	43.98
Dipole, Da:	9.71
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-5-[5-methyl-1-(3-methylsulfanylphenyl)triazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C3=NC(=NO3)C4=CC=CC=C4OCC)C

DOS

IR

Vibrations