Geometry & MOs
Info
ID: |
402669 |
PubChem CID: |
135056797 |
Reduced: |
BO2F3C8H9 (1) |
Stoich.: |
AB2C3D8E9 (1) |
Weight, g/mol: |
349.063634 |
ΔHf, kcal/mol: |
-319.86 |
Dipole, Da: |
2.76 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.104207 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(5R,10aS)-6,8-dichloro-N-phenyl-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine