Geometry & MOs

Info

ID:	346701
PubChem CID:	127271205
Reduced:	ClO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	68.4
Dipole, Da:	3.51
IP(EA), eV:	-9.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2CC2)N3CCCC(C3)C4=NC(=NO4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations