3-(3-Aminophenyl)-N-(3-Chlorophenyl)Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-5-Amine
Properties
Property | Value |
---|---|
Formula | C18H15ClN5+ |
IUPAC Name | 3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-4-ium-3-id-5-amine |
Molecular Mass | 336.798 g·mol−1 |
Heat of Formation | 506.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.20 ± 1.08 D |
Volume | 380.3 Å 3 |
Surface Area | 337.64 Å 2 |
HOMO Energy | -8.20 ± 0.55 eV |
LUMO Energy | -1.27 ± eV |
Point Group Symmetry | C1 |
InChIKey | XVWFLVPZLKZSOU-UHFFFAOYSA-O |
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Elements | H C N Cl |