Geometry & MOs
Info
ID: |
44331 |
PubChem CID: |
10502788 |
Reduced: |
H5C7 (1) |
Stoich.: |
A5B7 (1) |
Weight, g/mol: |
430.11167 |
ΔHf, kcal/mol: |
110.19 |
Dipole, Da: |
0.7 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.905410 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2R)-1-[6-(4-bromoanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol