Geometry & MOs

Info

ID:	136550
PubChem CID:	52060654
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	443.165007
ΔH_f, kcal/mol:	-84.29
Dipole, Da:	4.5
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations