Geometry & MOs

Info

ID:

219187

PubChem CID:

85091328

Reduced:

O2N5C43H63 (1)

Stoich.:

A2B5C43D63 (1)

Weight, g/mol:

684.278857

ΔHf, kcal/mol:

-53.67

Dipole, Da:

5.02

IP(EA), eV:

 -8.03(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-2-[2-[3-[2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole;perchlorate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=NC=C1)CN2CCC(CC2)N(CCCCCCCN3CCC(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)N)C(C)C

DOS

IR

Vibrations