Geometry & MOs

Info

ID:	37709
PubChem CID:	8023482
Reduced:	SN2F3O3H17C18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	390.218152
ΔH_f, kcal/mol:	-239.5
Dipole, Da:	5.24
IP(EA), eV:	-8.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]quinoline-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)CNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations