Geometry & MOs

Info

ID:	77833
PubChem CID:	49661679
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	4.27
IP(EA), eV:	-8.66(-0.65)
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-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations