Geometry & MOs

Info

ID:	67779
PubChem CID:	46507151
Reduced:	ClON4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	74.01
Dipole, Da:	1.35
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CCCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations