11-[2-[(1R,2R)-2-(Diethylaminomethyl)-1-Piperidyl]Acetyl]-5H-Pyrido[2,3-B][1,4]Benzodiazepin-1-Ium-4A-Id-6-One

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Formula C24H32N5O2
IUPAC Name 11-[2-[(1r,2r)-2-(diethylaminomethyl)-1-piperidyl]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-1-ium-4a-id-6-one
Molecular Mass 422.543 g·mol−1
Heat of Formation -100.7 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 528.34 Å 3
Surface Area 396.51 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
InChIKey XGJWPMVQVAHMQJ-ABLLCGGWSA-O
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