7-{[(1R,2S)-2-Aminocyclohexyl]Amino}-5-(1H-Indol-7-Ylamino)Pyrido[4,3-D]Pyrimidin-4(3H)-One

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Formula C21H23N7O+
IUPAC Name 7-[[(1r,2s)-2-aminocyclohexyl]amino]-5-(indol-1-ium-7a-ylium-7-ylamino)pyrido[4,3-d]pyrimidin-4-one
Molecular Mass 389.454 g·mol−1
Heat of Formation 136.1 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 450.28 Å 3
Surface Area 393.81 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey JZLUCFJMWJDRIK-UONOGXRCSA-N
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