Geometry & MOs
Info
ID: |
438988 |
PubChem CID: |
135228749 |
Reduced: |
NC15H19 (2) |
Stoich.: |
AB15C19 (2) |
Weight, g/mol: |
616.326085 |
ΔHf, kcal/mol: |
43.07 |
Dipole, Da: |
2.97 |
IP(EA), eV: |
-8.06(-0.25) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
ethyl 6-tert-butyl-10-methoxy-9-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate