Geometry & MOs

Info

ID:	123223
PubChem CID:	50838224
Reduced:	ClN3O5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	432.110151
ΔH_f, kcal/mol:	-176.48
Dipole, Da:	5.15
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=C(C=C(C=C3Cl)OC)OC

DOS

IR

Vibrations