3-(3-Aminophenyl)-N-(3-Chlorophenyl)Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-5-Amine

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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