3-Bromo-5-Phenyl-N-(Pyrimidine-1,3-Diium-5-Id-5-Ylmethyl)-6H-Pyrazolo[1,5-A]Pyridin-8-Ium-6-Id-7-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H16BrN5+
IUPAC Name 3-bromo-5-phenyl-n-(pyrimidine-1,3-diium-5-id-5-ylmethyl)-6h-pyrazolo[1,5-a]pyridin-8-ium-6-id-7-amine
Molecular Mass 382.257 g·mol−1
Heat of Formation 597.0 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 387.42 Å 3
Surface Area 354.38 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3-bromo-5-phenyl-1h-pyrazolo[5,1-f]pyridin-8-ium-7-yl)-(pyrimidin-5-ylmethyl)amine
  • 3-bromo-5-phenyl-n-(5-pyrimidinylmethyl)-1h-pyrazolo[5,1-f]pyridin-8-ium-7-amine
InChIKey FVXRUBYULLZEGT-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br N