Geometry & MOs

Info

ID:	166833
PubChem CID:	74740862
Reduced:	FON3C24H31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	396.245116
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	5.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.170486
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations