Formula |
C23H25N5O3 |
IUPAC Name |
2-[(3r)-3-acetamidoindan-5-yl]oxy-n-[(1s)-1-cyclopropylethyl]-6h-pyrrolo[2,3-b]pyrazin-5-ium-6-ylium-7-carboxamide |
Molecular Mass |
419.476 g·mol−1 |
Heat of Formation |
-145.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.72 ± 1.08 D |
Volume |
502.21 Å 3 |
Surface Area |
413.98 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
1.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZLMYXZMBDPHCEG-HXPMCKFVSA-N |
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Elements |
H
C
O
N
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