Geometry & MOs
Info
ID: |
436326 |
PubChem CID: |
135198990 |
Reduced: |
NOH23C26 (1) |
Stoich.: |
ABC23D26 (1) |
Weight, g/mol: |
747.36472 |
ΔHf, kcal/mol: |
85.83 |
Dipole, Da: |
2.57 |
IP(EA), eV: |
-8.57(-0.89) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2E,4E)-N-methyl-1-[4-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]-5a,6,7,8,9,9a-hexahydrodibenzothiophen-3-yl]-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]hepta-2,4,6-trien-1-imine