Geometry & MOs

Info

ID:	143233
PubChem CID:	53170029
Reduced:	ON5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	132.79
Dipole, Da:	7.48
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(N=N2)C3=NOC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations