Geometry & MOs

Info

ID:	304042
PubChem CID:	124491681
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	3.26
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-ethoxyphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NOC(=N2)[C@H]3CCCNC3

DOS

IR

Vibrations