N-[2-(4-Methoxy-1-Piperidinyl)-4-Pyrimidinyl]-2-(1H-Pyrazol-4-Yl)-1H-Pyrrolo[3,2-C]Pyridin-6-Amine

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Properties Simple | Detailed

Formula C20H22N8O
IUPAC Name n-[2-(4-methoxy-1-piperidyl)pyrimidin-4-yl]-2-pyrazol-1-ium-4-id-4-yl-pyrrolo[3,2-c]pyridin-1-ium-7a-ylium-6-amine
Molecular Mass 390.442 g·mol−1
Heat of Formation 367.1 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 457.57 Å 3
Surface Area 399.25 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey ZYQLGVMUVCWJRA-UHFFFAOYSA-N
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