Geometry & MOs
Info
ID: |
163224 |
PubChem CID: |
57654950 |
Reduced: |
ClN2O3C16H17 (1) |
Stoich.: |
AB2C3D16E17 (1) |
Weight, g/mol: |
1210.41178 |
ΔHf, kcal/mol: |
-20.99 |
Dipole, Da: |
3.38 |
IP(EA), eV: |
-9.26(-1.62) |
Spin(Sz, S2): |
None, None |
Charge, e: |
2 |
Chem-info
IUPAC name:
(2'E)-6'-bromo-2'-[(E)-3-[3-[5-[2-[(E,3E)-3-(6'-bromo-1'-methyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]-3,3-dimethylpentyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1'-methyl-5'-nitrospiro[cyclohexane-1,3'-indole]