Geometry & MOs
Info
ID: |
162893 |
PubChem CID: |
57578289 |
Reduced: |
ClN2O4C36H44 (1) |
Stoich.: |
AB2C4D36E44 (1) |
Weight, g/mol: |
595.405225 |
ΔHf, kcal/mol: |
-106.24 |
Dipole, Da: |
4.01 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.971144 |
Charge, e: |
1 |
Chem-info
IUPAC name:
3-butyl-2-[7-(3-butyl-1,1-dimethyl-2H-benzo[e]indol-2-yl)hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium