Geometry & MOs
Info
ID: |
321100 |
PubChem CID: |
126664850 |
Reduced: |
SN2C11H25 (1) |
Stoich.: |
AB2C11D25 (1) |
Weight, g/mol: |
407.345996 |
ΔHf, kcal/mol: |
-5.12 |
Dipole, Da: |
3.04 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.758645 |
Charge, e: |
1 |
Chem-info
IUPAC name:
11-[4-[6-[ethyl(methyl)amino]hexyl]pyridin-1-ium-1-yl]undecane-1-thiol