Geometry & MOs
Info
ID: |
382142 |
PubChem CID: |
134973099 |
Reduced: |
NC9H12 (1) |
Stoich.: |
AB9C12 (1) |
Weight, g/mol: |
517.261694 |
ΔHf, kcal/mol: |
61.09 |
Dipole, Da: |
2.29 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.972992 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3Z)-3-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-1H-pyridin-2-ylidene]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-one