Geometry & MOs
Info
ID: |
231598 |
PubChem CID: |
87574286 |
Reduced: |
O3C13H20 (1) |
Stoich.: |
A3B13C20 (1) |
Weight, g/mol: |
1094.298585 |
ΔHf, kcal/mol: |
-112.81 |
Dipole, Da: |
2.25 |
IP(EA), eV: |
-10.22(0.76) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[(5-cyano-4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid;3-[(5-cyano-4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid;4-[(5-cyano-4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid