Geometry & MOs

Info

ID:	412357
PubChem CID:	135085247
Reduced:	NNiO2H12C14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	327.231063
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	6.47
IP(EA), eV:	-5.28(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(S)-(5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N/C=C/2\C(=O)C(=CC=C2)O)C3=C(C=CC=C3N/C=C/4\C(=O)C(=CC=C4)O)C.[Ni+2].[Ni+2]

DOS

IR

Vibrations