Geometry & MOs
Info
ID: |
137254 |
PubChem CID: |
52177426 |
Reduced: |
ON3C9H16 (1) |
Stoich.: |
AB3C9D16 (1) |
Weight, g/mol: |
288.157524 |
ΔHf, kcal/mol: |
42.01 |
Dipole, Da: |
11.83 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.837013 |
Charge, e: |
1 |
Chem-info
IUPAC name:
(3S)-1-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-ium-3-ol