Geometry & MOs

Info

ID:	136939
PubChem CID:	52125785
Reduced:	O2N5C28H35 (1)
Stoich.:	A2B5C28D35 (1)
Weight, g/mol:	465.250181
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	5.7
IP(EA), eV:	-8.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-1-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)CN3CCC(CC3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations