Geometry & MOs

Info

ID:	39263
PubChem CID:	8140011
Reduced:	O2N3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	12.94
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.004483
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations