Formula |
C23H30N8O |
IUPAC Name |
7-cyclopentyl-n,n-dimethyl-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-6-carboxamide |
Molecular Mass |
434.537 g·mol−1 |
Heat of Formation |
238.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.79 ± 1.08 D |
Volume |
523.48 Å 3 |
Surface Area |
449.05 Å 2 |
HOMO Energy |
-8.18 ± 0.55 eV |
LUMO Energy |
2.34 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RHXHGRAEPCAFML-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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