Geometry & MOs
Info
ID: |
321206 |
PubChem CID: |
126665238 |
Reduced: |
BrZnC7H12 (1) |
Stoich.: |
ABC7D12 (1) |
Weight, g/mol: |
443.202048 |
ΔHf, kcal/mol: |
33.45 |
Dipole, Da: |
1.38 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.755378 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-(2,4-difluorophenyl)-N'-[(1S,9R,13R)-4-hydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]butanediamide