Geometry & MOs
Info
ID: |
162888 |
PubChem CID: |
57578281 |
Reduced: |
ClN2O4C40H52 (1) |
Stoich.: |
AB2C4D40E52 (1) |
Weight, g/mol: |
687.392861 |
ΔHf, kcal/mol: |
-118.65 |
Dipole, Da: |
2.31 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.395431 |
Charge, e: |
1 |
Chem-info
IUPAC name:
[(2Z)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-5,6-dimethoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-6-yl]methanol