Geometry & MOs

Info

ID:	77831
PubChem CID:	49661673
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	440.196074
ΔH_f, kcal/mol:	48.98
Dipole, Da:	3.33
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations