Geometry & MOs
Info
ID: |
26045 |
PubChem CID: |
636884 |
Reduced: |
OH3C4 (4) |
Stoich.: |
AB3C4 (4) |
Weight, g/mol: |
608.315127 |
ΔHf, kcal/mol: |
-111.49 |
Dipole, Da: |
2.24 |
IP(EA), eV: |
-8.4(-1.03) |
Spin(Sz, S2): |
None, None |
Charge, e: |
2 |
Chem-info
IUPAC name:
(4aR,5aS,6S,8aS,13aS,15aR,15bR)-15-(3-ethyl-8-methoxy-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)-6-methyl-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium