Geometry & MOs

Info

ID:	38769
PubChem CID:	8137895
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	3.05
IP(EA), eV:	-9.25(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCC3

DOS

IR

Vibrations