Geometry & MOs

Info

ID:	287956
PubChem CID:	104302303
Reduced:	ClO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	4.92
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2/C(=N/O)/N)Cl

DOS

IR

Vibrations