Geometry & MOs

Info

ID:	136914
PubChem CID:	52122171
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	419.244701
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	2.56
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-4-phenylbutan-2-yl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=CO2)CC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations