Formula |
C17H22N8O |
IUPAC Name |
7-amino-2-tert-butyl-4-[2-(4h-imidazol-3-ium-4-ylium-5-yl)ethylamino]pyrido[2,3-d]pyrimidine-6-carboxamide |
Molecular Mass |
354.410 g·mol−1 |
Heat of Formation |
90.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.61 ± 1.08 D |
Volume |
421.56 Å 3 |
Surface Area |
380.5 Å 2 |
HOMO Energy |
-8.98 ± 0.55 eV |
LUMO Energy |
2.09 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XESUNWBIAADLPI-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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