Geometry & MOs
Info
ID: |
52097 |
PubChem CID: |
12014882 |
Reduced: |
NC13H19 (1) |
Stoich.: |
AB13C19 (1) |
Weight, g/mol: |
776.253267 |
ΔHf, kcal/mol: |
28.92 |
Dipole, Da: |
1.34 |
IP(EA), eV: |
-8.7(0.35) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6Z)-6-[[[(1R,2R)-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[[(1R,2R)-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;titanium;dihydrate