Geometry & MOs
Info
ID: |
181584 |
PubChem CID: |
76763410 |
Reduced: |
ClBr2N2C48H54 (1) |
Stoich.: |
AB2C2D48E54 (1) |
Weight, g/mol: |
856.04594 |
ΔHf, kcal/mol: |
48.1 |
Dipole, Da: |
7.51 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 2.611407 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[2-[2-[2-chloro-3-[2-(5-iodo-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-iodo-3,3-dimethylindol-1-yl]ethanesulfonate