6-[(1R,3S)-3-Amino-1-Piperidyl]-5-Benzyl-4-Oxo-3-(Quinolin-1-Ium-4A-Id-4-Ylmethyl)Pyrrolo[3,2-D]Pyrimidin-1-Ium-4A-Ide-7-Carbonitrile

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Properties Simple | Detailed

Formula C29H29N7O
IUPAC Name 6-[(1r,3s)-3-amino-1-piperidyl]-5-benzyl-4-oxo-3-(quinolin-1-ium-4a-id-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-1-ium-4a-ide-7-carbonitrile
Molecular Mass 491.587 g·mol−1
Heat of Formation 461.4 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 591.42 Å 3
Surface Area 469.68 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey RGZRXALHDCFXQG-TYIYPMNDSA-O
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