Geometry & MOs

Info

ID:	38901
PubChem CID:	8138135
Reduced:	F3O3N4H13C15 (1)
Stoich.:	A3B3C4D13E15 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-216.1
Dipole, Da:	1.78
IP(EA), eV:	-9.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations