Geometry & MOs

Info

ID:	136937
PubChem CID:	52125133
Reduced:	N2O3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	435.239616
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	1.76
IP(EA), eV:	-8.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)CC3=NN=C(O3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations