Formula |
C22H30N8O2 |
IUPAC Name |
tert-butyl n-[(1r,3r,5r)-1-[2-amino-6-(3-amino-4h-indazol-2-ium-4-id-6-yl)pyrimidin-4-yl]-5-methyl-3-piperidyl]carbamate |
Molecular Mass |
438.526 g·mol−1 |
Heat of Formation |
-83.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.90 ± 1.08 D |
Volume |
531.09 Å 3 |
Surface Area |
447.25 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-0.49 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YEIVLMDWYXFKHN-TZMCWYRMSA-N |
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Elements |
H
C
O
N
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