Formula |
C18H14Cl2N5+ |
IUPAC Name |
5-(2,3-dichlorophenyl)-n-(4-pyridylmethyl)-1h-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine |
Molecular Mass |
371.243 g·mol−1 |
Heat of Formation |
535.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.66 ± 1.08 D |
Volume |
397.13 Å 3 |
Surface Area |
359.79 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
0.83 ± eV |
Point Group Symmetry |
Cs
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Synonyms
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- 5-(2,3-dichlorophenyl)-n-(4-pyridylmethyl)-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-amine
- [5-(2,3-dichlorophenyl)-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-yl]-(4-pyridylmethyl)amine
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InChIKey |
FCLSVBKRZDFWCO-UHFFFAOYSA-O |
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Links |
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Elements |
H
C
Cl
N
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