Geometry & MOs

Info

ID:	166836
PubChem CID:	74740865
Reduced:	ON3C26H36 (1)
Stoich.:	AB3C26D36 (1)
Weight, g/mol:	453.26658
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	6.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.180829
Charge, e:	1

Chem-info

IUPAC name:

N'-(3-fluoro-4-methylphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-ylethyl]oxamide

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=CC(=C2)C(CNC(=O)CCC3=CC=CC=C3)[NH+]4CCCCC4

DOS

IR

Vibrations