Formula |
C28H33FN6O2 |
IUPAC Name |
2-[1-[[2-(5-fluoroindol-1-ium-4-id-4-yl)-4-morpholino-pyrido[3,2-d]pyrimidin-6-yl]methyl]-4-piperidyl]propan-2-ol |
Molecular Mass |
504.599 g·mol−1 |
Heat of Formation |
-159.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.31 ± 1.08 D |
Volume |
602.45 Å 3 |
Surface Area |
497.84 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
2.24 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ONEJEIKQLAZPNN-UHFFFAOYSA-N |
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Elements |
H
C
N
O
F
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