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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Elements |
H
C
O
N
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