Geometry & MOs
Info
ID: |
320925 |
PubChem CID: |
126664256 |
Reduced: |
ClNC18H41 (1) |
Stoich.: |
ABC18D41 (1) |
Weight, g/mol: |
355.03317 |
ΔHf, kcal/mol: |
-79.94 |
Dipole, Da: |
1.79 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.750805 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one