Geometry & MOs

Info

ID:	77826
PubChem CID:	49661662
Reduced:	ClO2N5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	51.56
Dipole, Da:	2.75
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)Cl)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations