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

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Formula C27H37N5O2
IUPAC Name 11-[2-[4-[4-(diethylamino)butyl]-1-piperidyl]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-1-ium-4a-id-6-one
Molecular Mass 463.615 g·mol−1
Heat of Formation -135.1 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 589.84 Å 3
Surface Area 499.51 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
InChIKey DOAQDODKKORFIB-UWWASDNOSA-O
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