Geometry & MOs
Info
ID: |
321121 |
PubChem CID: |
126664948 |
Reduced: |
SN2C9H23 (1) |
Stoich.: |
AB2C9D23 (1) |
Weight, g/mol: |
511.502496 |
ΔHf, kcal/mol: |
9.49 |
Dipole, Da: |
2.75 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751840 |
Charge, e: |
1 |
Chem-info
IUPAC name:
12-[1-[12-[ethyl(methyl)amino]dodecyl]piperidin-1-ium-1-yl]dodecane-1-thiol