Geometry & MOs
Info
ID: |
337152 |
PubChem CID: |
127256717 |
Reduced: |
SC9H17 (1) |
Stoich.: |
AB9C17 (1) |
Weight, g/mol: |
252.059801 |
ΔHf, kcal/mol: |
-34.62 |
Dipole, Da: |
1.96 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754142 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1,6-difluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid