Geometry & MOs
Info
ID: |
194065 |
PubChem CID: |
78476740 |
Reduced: |
NO3C15H26 (1) |
Stoich.: |
AB3C15D26 (1) |
Weight, g/mol: |
329.173942 |
ΔHf, kcal/mol: |
-43.02 |
Dipole, Da: |
4.61 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.780850 |
Charge, e: |
2 |
Chem-info
IUPAC name:
1-[(5-nitrofuran-2-yl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium