Geometry & MOs

Info

ID:	136925
PubChem CID:	52123295
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	460.27125
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	5.27
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CN3CCC(CC3)C(=O)NCCOC4=CC=CC=C4OC

DOS

IR

Vibrations