Formula |
C20H20N9O+ |
IUPAC Name |
n-[5-[[3-cyano-7-[(1-methylimidazol-4-yl)amino]-1h-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]-2-methyl-phenyl]acetamide |
Molecular Mass |
402.433 g·mol−1 |
Heat of Formation |
502.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.43 ± 1.08 D |
Volume |
466.01 Å 3 |
Surface Area |
419.85 Å 2 |
HOMO Energy |
-8.41 ± 0.55 eV |
LUMO Energy |
-0.69 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CCTPIQWQDSRHJZ-UHFFFAOYSA-O |
QR Code |
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Links |
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Elements |
H
C
O
N
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