Geometry & MOs
Info
ID: |
52099 |
PubChem CID: |
12014884 |
Reduced: |
NOC10H11 (2) |
Stoich.: |
ABC10D11 (2) |
Weight, g/mol: |
1224.754069 |
ΔHf, kcal/mol: |
-12.6 |
Dipole, Da: |
8.74 |
IP(EA), eV: |
-8.65(-0.92) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6Z)-2,4-ditert-butyl-6-[[[(1R,2R)-2-[[(E)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;(6E)-2,4-ditert-butyl-6-[[[(1R,2R)-2-[[(E)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;titanium;dihydrate