Formula |
C22H28N6O4 |
IUPAC Name |
2-(3,5-dimethoxyanilino)-5-ethyl-7-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
Molecular Mass |
440.496 g·mol−1 |
Heat of Formation |
3698.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
15.17 ± 1.08 D |
Volume |
482.44 Å 3 |
Surface Area |
406.62 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
-2.63 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ITADTXCJWWSRJO-UHFFFAOYSA-N |
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Elements |
C
O
N
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