6-[(2R)-2-(Dimethylamino)Propyl]-11H-Pyrido[3,2-C][1,5]Benzodiazepin-1-Ium-4A-Id-5-One

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Formula C17H21N4O
IUPAC Name 6-[(2r)-2-(dimethylamino)propyl]-11h-pyrido[3,2-c][1,5]benzodiazepin-1-ium-4a-id-5-one
Molecular Mass 297.375 g·mol−1
Heat of Formation 88.1 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 368.17 Å 3
Surface Area 308.08 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey SMIUGPWGTTZPET-KJVSCNHFSA-O
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