Geometry & MOs

Info

ID:	175914
PubChem CID:	75967954
Reduced:	OCl2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	619.98216
ΔH_f, kcal/mol:	23.54
Dipole, Da:	4.11
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis(1-methylquinolin-1-ium-6-yl)penta-1,4-dien-3-one;diiodide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=NC3=CC=CC=C32)C(=O)C(CC4=CC(=C(C=C4)Cl)Cl)N

DOS

IR

Vibrations