Geometry & MOs
Info
ID: |
228655 |
PubChem CID: |
87565491 |
Reduced: |
OPC30H40 (1) |
Stoich.: |
ABC30D40 (1) |
Weight, g/mol: |
342.058697 |
ΔHf, kcal/mol: |
-43.11 |
Dipole, Da: |
6.77 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.982967 |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-hydroperoxy-4-[(2-hydroperoxy-6-methyl-4-oxo-3-oxabicyclo[3.2.0]hept-1(5)-en-2-yl)peroxy]-7-methyl-3-oxabicyclo[3.2.0]hept-1(5)-en-2-one