Geometry & MOs

Info

ID:	126273
PubChem CID:	50957994
Reduced:	O2N3H23C24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	303.11201
ΔH_f, kcal/mol:	21.42
Dipole, Da:	4.5
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C=N2)CCC3=CN=CC=C3)C4=CC=C(C=C4)OCCO

DOS

IR

Vibrations