Geometry & MOs

Info

ID:	167309
PubChem CID:	74807453
Reduced:	FSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	520.281146
ΔH_f, kcal/mol:	-62.19
Dipole, Da:	6.09
IP(EA), eV:	-8.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-6-[(4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-1-yl)methyl]-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2CCCO2)CCNC(=O)C=CC3=CC(=CC=C3)F

DOS

IR

Vibrations