Kmup-1

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Properties Simple | Detailed

Formula C19H23ClN6O2
IUPAC Name 7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione
Molecular Mass 402.878 g·mol−1
Heat of Formation -78.2 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 459.9 Å 3
Surface Area 396.11 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-2,6-dione
  • 7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-xanthine
InChIKey NIDVDYQCGWISJZ-UHFFFAOYSA-N
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Elements H C N O Cl