Geometry & MOs
Info
ID: |
402646 |
PubChem CID: |
135056678 |
Reduced: |
BPC13H13 (1) |
Stoich.: |
ABC13D13 (1) |
Weight, g/mol: |
245.078283 |
ΔHf, kcal/mol: |
152.56 |
Dipole, Da: |
5.68 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.755277 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,9R)-5,6-difluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;hydrochloride