3-[1-(2,5-Difluorobenzyl)-1H-Pyrazol-4-Yl]-5-(1-Methyl-1H-Pyrazol-4-Yl)-1H-Pyrrolo[2,3-B]Pyridine

Molecule SVG Image

Properties Simple | Detailed

Formula C21H16F2N6
IUPAC Name 3-[1-[(2,5-difluorophenyl)methyl]pyrazol-1-ium-2-id-4-yl]-5-(2-methyl-3h-pyrazol-2-ium-3-ylium-4-yl)pyrrolo[2,3-b]pyridin-1-ium
Molecular Mass 390.389 g·mol−1
Heat of Formation 322.2 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 440.05 Å 3
Surface Area 393.83 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey SDWMCZUOCJDBOJ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N F