Geometry & MOs

Info

ID:	214627
PubChem CID:	85083302
Reduced:	O7C33H52 (1)
Stoich.:	A7B33C52 (1)
Weight, g/mol:	558.92997
ΔH_f, kcal/mol:	-328.11
Dipole, Da:	3.67
IP(EA), eV:	-9.26(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;1-methyl-2-(2-methylsulfanyl-2-piperidin-1-ylethenyl)quinolin-1-ium;dichloride;iodide

Drug info:

PubChemData

Smile

CCCCC(C)C(C=CC1C(CC2C1CC(=C2)C(=C)COCC(=O)OC)OC3CCCCO3)OC4CCCCO4

DOS

IR

Vibrations