| Formula |
C16H14ClN5O2 |
| 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 |
343.768 g·mol−1 |
| Heat of Formation |
0.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.04 ± 1.08 D |
| Volume |
372.7 Å 3 |
| Surface Area |
332.41 Å 2 |
| HOMO Energy |
-8.77 ± 0.55 eV |
| LUMO Energy |
2.52 ± 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 |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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