Geometry & MOs
Info
ID: |
309100 |
PubChem CID: |
126537088 |
Reduced: |
ClF3N3H9C10 (1) |
Stoich.: |
AB3C3D9E10 (1) |
Weight, g/mol: |
663.233635 |
ΔHf, kcal/mol: |
-81.58 |
Dipole, Da: |
1.98 |
IP(EA), eV: |
-9.02(-0.72) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6R,10S)-10-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-dihydrotriazol-3-yl]phenyl]-6-oxopyrimidin-1-yl]-2,6-dimethyl-2-phenyl-4,12-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one