Geometry & MOs
Info
ID: |
231025 |
PubChem CID: |
87572478 |
Reduced: |
C13F22 (1) |
Stoich.: |
A13B22 (1) |
Weight, g/mol: |
641.170278 |
ΔHf, kcal/mol: |
-1027.96 |
Dipole, Da: |
1.08 |
IP(EA), eV: |
-11.68(-1.47) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)-1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride