Geometry & MOs
Info
ID: |
226960 |
PubChem CID: |
87559234 |
Reduced: |
NO2C8H18 (1) |
Stoich.: |
AB2C8D18 (1) |
Weight, g/mol: |
443.061455 |
ΔHf, kcal/mol: |
-94.63 |
Dipole, Da: |
4.39 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.762867 |
Charge, e: |
0 |
Chem-info
IUPAC name:
6,11-dihydro-5H-benzo[b][1]benzazepine;2,3,4,5,6-pentafluorobenzenesulfonic acid