Geometry & MOs

Info

ID:	173597
PubChem CID:	75659357
Reduced:	N2O2C22H33 (1)
Stoich.:	A2B2C22D33 (1)
Weight, g/mol:	371.269853
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754884
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC(C2=CC3=C(C=C2)N(CCC3)C(=O)C4CCCC4)O

DOS

IR

Vibrations