Geometry & MOs
Info
ID: |
174973 |
PubChem CID: |
75840193 |
Reduced: |
SO2N3C17H26 (1) |
Stoich.: |
AB2C3D17E26 (1) |
Weight, g/mol: |
365.239302 |
ΔHf, kcal/mol: |
-11.93 |
Dipole, Da: |
6.48 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.908735 |
Charge, e: |
1 |
Chem-info
IUPAC name:
N-[(4-ethynylphenyl)methyl]-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]-N-methylmethanamine