Geometry & MOs
Info
ID: |
379042 |
PubChem CID: |
134352146 |
Reduced: |
ClO2C8H11 (1) |
Stoich.: |
AB2C8D11 (1) |
Weight, g/mol: |
678.324464 |
ΔHf, kcal/mol: |
-79.43 |
Dipole, Da: |
4.49 |
IP(EA), eV: |
-8.82(0.37) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
4-[(2E)-2-[(2E)-2-[4-chloro-5-[(E)-2-(3,3-dimethyl-7-pentylpyrrolo[2,3-b]pyridin-7-ium-2-yl)ethenyl]-1-methyl-2,6-dihydropyridin-3-ylidene]ethylidene]-3,3-dimethylpyrrolo[2,3-b]pyridin-7-yl]butane-1-sulfonic acid