Geometry & MOs

Info

ID:	133267
PubChem CID:	51500923
Reduced:	FN2O2C24H30 (1)
Stoich.:	AB2C2D24E30 (1)
Weight, g/mol:	371.269853
ΔH_f, kcal/mol:	-100.6
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.106240
Charge, e:	1

Chem-info

IUPAC name:

cyclopentyl-[6-[(1S)-1-hydroxy-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)NCC[NH+]3CCC(CC3)(C4=CC(=CC=C4)F)O

DOS

IR

Vibrations