Geometry & MOs
Info
ID: |
441550 |
PubChem CID: |
135236020 |
Reduced: |
HPC2O3F5 (1) |
Stoich.: |
ABC2D3E5 (1) |
Weight, g/mol: |
252.136159 |
ΔHf, kcal/mol: |
-408.39 |
Dipole, Da: |
2.9 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.760823 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[cyclohexyl(hydroxy)methyl] 7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate