Geometry & MOs

Info

ID:	141404
PubChem CID:	52874131
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	2.45
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3CCCC[C@@H]3C4OCCO4

DOS

IR

Vibrations