Geometry & MOs

Info

ID:	77827
PubChem CID:	49661667
Reduced:	O2N5C27H27 (1)
Stoich.:	A2B5C27D27 (1)
Weight, g/mol:	487.177503
ΔH_f, kcal/mol:	56.51
Dipole, Da:	3.94
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations