Formula |
C20H19N9O |
IUPAC Name |
n-[5-[[3-cyano-7-[(1-methylimidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]acetamide |
Molecular Mass |
401.425 g·mol−1 |
Heat of Formation |
496.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.69 ± 1.08 D |
Volume |
469.0 Å 3 |
Surface Area |
412.11 Å 2 |
HOMO Energy |
-8.34 ± 0.55 eV |
LUMO Energy |
1.33 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BVIIISKMMOOOPF-UHFFFAOYSA-N |
QR Code |
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Elements |
H
C
O
N
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