8-(2-Amino-4-Chloro-Phenyl)-1,3-Dipropyl-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C17H21ClN5O2
IUPAC Name 8-(2-amino-4-chloro-phenyl)-1,3-dipropyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 362.834 g·mol−1
Heat of Formation -254.7 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 416.55 Å 3
Surface Area 365.2 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
InChIKey ZMVBRRBDGIQEJI-UHFFFAOYSA-P
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Elements H C N O Cl