[5-Phenyl-7-(Pyridin-1-Ium-3-Id-3-Ylmethylamino)Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-3-Yl]Methanol

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Properties Simple | Detailed

Formula C19H18N5O+
IUPAC Name [5-phenyl-7-(pyridin-1-ium-3-id-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-4-ium-3-id-3-yl]methanol
Molecular Mass 332.379 g·mol−1
Heat of Formation 384.2 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 390.29 Å 3
Surface Area 360.1 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • [5-phenyl-7-(3-pyridylmethylamino)-1h-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]methanol
InChIKey XVNMOZIUWHZQJU-UHFFFAOYSA-O
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