Geometry & MOs
Info
ID: |
321169 |
PubChem CID: |
126665089 |
Reduced: |
SN2C12H21 (1) |
Stoich.: |
AB2C12D21 (1) |
Weight, g/mol: |
380.18608 |
ΔHf, kcal/mol: |
8.17 |
Dipole, Da: |
3.65 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.977099 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[1-[8-(dimethylamino)octyl]pyrrolidin-1-ium-1-yl]propane-1-thiol;bromide