| Formula |
C21H21N5O3 |
| IUPAC Name |
methyl (2s)-3-[4-amino-7-[(e)-3-hydroxyprop-1-enyl]-5-(p-tolyl)pyrrolo[2,3-d]pyrimidin-7-ium-5-id-6-yl]-2-cyano-propanoate |
| Molecular Mass |
391.423 g·mol−1 |
| Heat of Formation |
-112.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.97 ± 1.08 D |
| Volume |
466.95 Å 3 |
| Surface Area |
392.25 Å 2 |
| HOMO Energy |
-8.57 ± 0.55 eV |
| LUMO Energy |
-0.54 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
ZJERBAYUHUAUBE-GZTQLTBSSA-N |
| QR Code |
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| Links |
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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