Geometry & MOs

Info

ID:	39038
PubChem CID:	8138412
Reduced:	ClN3O4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	5.08
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-propanoylphenoxy)acetate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C/C(=O)NNC(=O)C2=CC=CN2)Cl)OC

DOS

IR

Vibrations