Geometry & MOs

Info

ID:	136542
PubChem CID:	52059708
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	328.17735
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	8.75
IP(EA), eV:	-9.26(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-prop-2-enyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)CNC(=O)C1CCN(CC1)CC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations