Geometry & MOs

Info

ID:	39096
PubChem CID:	8139688
Reduced:	Cl2O5H16C18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	372.087685
ΔH_f, kcal/mol:	-160.13
Dipole, Da:	3.77
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)COC(=O)COC3=CC=CC=C3Cl)Cl)OC1

DOS

IR

Vibrations