Geometry & MOs
Info
ID: |
166393 |
PubChem CID: |
74682790 |
Reduced: |
FON3C18H23 (1) |
Stoich.: |
ABC3D18E23 (1) |
Weight, g/mol: |
404.209993 |
ΔHf, kcal/mol: |
-6.92 |
Dipole, Da: |
3.16 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.175103 |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate