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
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Synonyms
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- 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
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InChIKey |
NIDVDYQCGWISJZ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
Cl
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