Geometry & MOs
Info
ID: |
321105 |
PubChem CID: |
126664894 |
Reduced: |
SN3C12H24 (1) |
Stoich.: |
AB3C12D24 (1) |
Weight, g/mol: |
486.26433 |
ΔHf, kcal/mol: |
9.34 |
Dipole, Da: |
1.67 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.771108 |
Charge, e: |
0 |
Chem-info
IUPAC name:
11-[4-[6-(methylamino)octyl]pyridin-1-ium-1-yl]undecane-1-thiol;bromide