Geometry & MOs

Info

ID:	136559
PubChem CID:	52064196
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	63.09
Dipole, Da:	3.97
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxyphenyl)-N-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CC4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations