2-[4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Anilino]-8-Indan-5-Yl-5-Oxo-Pyrido[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-6-Carboxamide

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Properties Simple | Detailed

Formula C29H32N7O2+
IUPAC Name 2-[4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]anilino]-8-indan-5-yl-5-oxo-3h-pyrido[2,3-d]pyrimidin-8-ium-6-carboxamide
Molecular Mass 510.610 g·mol−1
Heat of Formation 41.5 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 598.78 Å 3
Surface Area 522.9 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey HNBAIQBYJCMCPE-HDICACEKSA-O
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