Geometry & MOs

Info

ID:	77825
PubChem CID:	49661653
Reduced:	O4N5C28H29 (1)
Stoich.:	A4B5C28D29 (1)
Weight, g/mol:	473.161853
ΔH_f, kcal/mol:	-22.08
Dipole, Da:	5.72
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5)OC

DOS

IR

Vibrations