3-(2-Chlorobenzyl)-1,7-Dimethyl-1H-Imidazo[2,1-F]Purine-2,4(3H,8H)-Dione

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Properties Simple | Detailed

Formula C16H20ClN5O2
IUPAC Name 2-[(2-chlorophenyl)methyl]-4,7-dimethyl-6,8-dihydropurino[7,8-a]imidazole-4a,5,5a,7,8,9a-hexaide-1,3-dione
Molecular Mass 349.815 g·mol−1
Heat of Formation 1.0 ± 16.7 kJ·mol−1
Dipole Moment 8.03 ± 1.08 D
Volume 370.42 Å 3
Surface Area 332.61 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-chlorobenzyl)-4,7-dimethyl-6h-purino[7,8-a]imidazole-1,3-quinone
  • 2-[(2-chlorophenyl)methyl]-4,7-dimethyl-6h-purino[7,8-a]imidazole-1,3-dione
InChIKey XFAMUKXRXCVZSF-UHFFFAOYSA-N
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Elements H C N O Cl