3-Bromo-5-Phenyl-N-(Pyridin-1-Ium-3-Id-3-Ylmethyl)Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-7-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H15BrN5+
IUPAC Name 3-bromo-5-phenyl-n-(pyridin-1-ium-3-id-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-amine
Molecular Mass 381.249 g·mol−1
Heat of Formation 616.9 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 387.5 Å 3
Surface Area 356.7 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3-bromo-5-phenyl-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-yl)-(3-pyridylmethyl)amine
  • 3-bromo-5-phenyl-n-(3-pyridylmethyl)-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-amine
InChIKey VGCXJPHFYIJNOA-UHFFFAOYSA-O
QR Code Generate QR Code
Links PubChem
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br N