Geometry & MOs
Info
ID: |
411800 |
PubChem CID: |
135084645 |
Reduced: |
RuN3C11H14 (1) |
Stoich.: |
AB3C11D14 (1) |
Weight, g/mol: |
777.425405 |
ΔHf, kcal/mol: |
191.18 |
Dipole, Da: |
10.0 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.893138 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-4-[(R)-[(2S,4S,5S)-5-ethyl-2-bicyclo[2.2.2]octanyl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine