Geometry & MOs
Info
ID: |
439038 |
PubChem CID: |
135228801 |
Reduced: |
SC31H40 (1) |
Stoich.: |
AB31C40 (1) |
Weight, g/mol: |
529.341676 |
ΔHf, kcal/mol: |
92.3 |
Dipole, Da: |
0.91 |
IP(EA), eV: |
-8.25(0.24) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-tert-butyl-10-ethyl-9-[2-[2-(ethylamino)ethyl-propylamino]pyrimidin-5-yl]-3-(1-hydroxyethenyl)-6,7-dihydrobenzo[a]quinolizin-2-one