Geometry & MOs
Info
ID: |
311929 |
PubChem CID: |
126599408 |
Reduced: |
N2C38H49 (1) |
Stoich.: |
A2B38C49 (1) |
Weight, g/mol: |
773.33317 |
ΔHf, kcal/mol: |
31.1 |
Dipole, Da: |
0.8 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.727211 |
Charge, e: |
1 |
Chem-info
IUPAC name:
(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-(iodomethyl)cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole