1-(2-Azabicyclo[2.2.2]Oct-2-Yl)-2-{2-(3,5-Dimethylphenyl)-3-[(2S)-1-{[2-(4-Pyridinyl)Ethyl]Amino}-2-Propanyl]-1H-Indol-5-Yl}-2-Methyl-1-Propanone

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Properties Simple | Detailed

Formula C37H46N4O
IUPAC Name 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-[2-(3,5-dimethylphenyl)-3-[(1s)-1-methyl-2-[2-(4-pyridyl)ethylamino]ethyl]-1h-indol-5-yl]-2-methyl-propan-1-one
Molecular Mass 562.787 g·mol−1
Heat of Formation -68.1 ± 16.7 kJ·mol−1
Dipole Moment 8.77 ± 1.08 D
Volume 735.43 Å 3
Surface Area 535.48 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey GGVFLXSCFPVLMS-KRTZNCOESA-N
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