Formula |
C21H28N6O |
IUPAC Name |
[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(5h)-yl)-1-piperidinyl][(2s)-1-isopropyl-2-pyrrolidinyl]methanone |
Molecular Mass |
380.487 g·mol−1 |
Heat of Formation |
74.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.94 ± 1.08 D |
Volume |
471.98 Å 3 |
Surface Area |
370.18 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
2.72 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XDHQVHVOFHWRNB-SFHVURJKSA-N |
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Elements |
H
C
O
N
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