Geometry & MOs

Info

ID:	143232
PubChem CID:	53169512
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	317.12766
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	4.68
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCC3(CC2)NC4=C(C=CC(=C4)Cl)C(=O)N3

DOS

IR

Vibrations