Formula |
C20H18N6O |
IUPAC Name |
n,4-dimethyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-1-ium-3a-id-4-yl)amino]benzamide |
Molecular Mass |
358.397 g·mol−1 |
Heat of Formation |
359.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.05 ± 1.08 D |
Volume |
419.65 Å 3 |
Surface Area |
378.18 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- n,4-dimethyl-3-[(1-phenyl-4-pyrazolo[4,5-e]pyrimidinyl)amino]benzamide
|
InChIKey |
OYTBZXSFNNAVKU-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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