Geometry & MOs

Info

ID:	77829
PubChem CID:	49661670
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	11.35
Dipole, Da:	3.35
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations