Geometry & MOs
Info
ID: |
387088 |
PubChem CID: |
134983945 |
Reduced: |
MoNPC18H31 (1) |
Stoich.: |
ABCD18E31 (1) |
Weight, g/mol: |
796.274443 |
ΔHf, kcal/mol: |
85.14 |
Dipole, Da: |
5.58 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.711580 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3'-[[1-[6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-methylamino]hexyl]triazol-4-yl]methoxy]-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one