Methyl 11-(1-(2-(4-(2-Quinolinylmethoxy)Phenyl)Ethyl)-4-Piperidinylidene)-2,5,6,11-Tetrahydro-3H-Imidazo(2,1-B)(3)Benzazepine-3-Carboxylate

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Properties Simple | Detailed

Formula C37H39N4O3
IUPAC Name methyl (3r)-11-[1-[2-[4-(quinolin-1-ium-4a-id-2-ylmethoxy)phenyl]ethyl]-4-piperidylidene]-2,3,5,6-tetrahydroimidazo[2,1-b][3]benzazepine-3-carboxylate
Molecular Mass 587.731 g·mol−1
Heat of Formation 14.6 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 711.97 Å 3
Surface Area 586.73 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey QPGHEZZVRGUCDN-UUWRZZSWSA-N
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