Geometry & MOs
Info
ID: |
226981 |
PubChem CID: |
87559367 |
Reduced: |
SSiO2C9H21 (1) |
Stoich.: |
ABC2D9E21 (1) |
Weight, g/mol: |
644.313138 |
ΔHf, kcal/mol: |
-153.73 |
Dipole, Da: |
2.84 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.758133 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpiperidin-3-yl]methyl 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylpiperidin-3-yl]-2-hydroxyethanesulfonate