5-Chloro-7-(Isopropylamino)Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Ide-3-Carbonitrile

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Properties Simple | Detailed

Formula C10H11ClN5
IUPAC Name 5-chloro-7-(isopropylamino)pyrazolo[1,5-a]pyrimidin-4-ium-3-ide-3-carbonitrile
Molecular Mass 236.681 g·mol−1
Heat of Formation 372.0 ± 16.7 kJ·mol−1
Dipole Moment 10.98 ± 1.08 D
Volume 262.69 Å 3
Surface Area 256.37 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
InChIKey YPSMBABIIHFGPO-UHFFFAOYSA-O
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Elements H C Cl N