Geometry & MOs

Info

ID:

379054

PubChem CID:

134352180

Reduced:

ClN2C15H17 (1)

Stoich.:

AB2C15D17 (1)

Weight, g/mol:

756.417005

ΔHf, kcal/mol:

52.96

Dipole, Da:

1.54

IP(EA), eV:

-8.08(-0.43)

Spin(Sz, S2):

None, None

Charge, e:

2

Chem-info

IUPAC name:

6-[(2E)-2-[(2E)-2-[4-chloro-5-[(E)-2-(3,3-dimethyl-6-pentylpyrrolo[2,3-f]quinolin-6-ium-2-yl)ethenyl]-1-methyl-2,6-dihydropyridin-3-ylidene]ethylidene]-1,1-dimethyl-9bH-benzo[e]indol-3-ium-3-yl]hexanoic acid

Drug info:

PubChemData

Smile

CN1CC(=C(/C(=C/NC2=CC=CC=C2)/C1)Cl)C=C

DOS

IR

Vibrations