Geometry & MOs
Info
ID: |
233488 |
PubChem CID: |
90944852 |
Reduced: |
ClC13H21 (1) |
Stoich.: |
AB13C21 (1) |
Weight, g/mol: |
1052.097784 |
ΔHf, kcal/mol: |
-48.33 |
Dipole, Da: |
2.92 |
IP(EA), eV: |
-10.21(1.11) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[3,5-dichloro-4-[[(3R)-1-(1-methyl-4,5,6,7-tetrahydroindazol-5-yl)-2-oxopyrrolidin-3-yl]methyl]phenyl] trifluoromethanesulfonate;[3,5-dichloro-4-[[(3R)-1-(2-methyl-4,5,6,7-tetrahydroindazol-5-yl)-2-oxopyrrolidin-3-yl]methyl]phenyl] trifluoromethanesulfonate