Geometry & MOs

Info

ID:	37438
PubChem CID:	8021060
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	388.082599
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	4.46
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)O[C@H](C)C(=O)NC2=CC=NN2C(C)C

DOS

IR

Vibrations