6-Benzyl-5-Chloro-7-Hydroxypyrazolo[1,5-A]Pyrimidine-3-Carbonitrile

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Properties Simple | Detailed

Formula C14H10ClN4O+
IUPAC Name 6-benzyl-5-chloro-7-hydroxy-pyrazolo[1,5-a]pyrimidin-8-ium-4-ide-3-carbonitrile
Molecular Mass 285.708 g·mol−1
Heat of Formation 336.9 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 309.64 Å 3
Surface Area 282.45 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey HOHNWEMSRSQMGQ-UHFFFAOYSA-N
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Elements H C N O Cl