6-(3,5-Difluoroanilino)-9-Ethyl-Purine-2-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C14H10F2N6
IUPAC Name 6-(3,5-difluoroanilino)-9-ethyl-purine-1,3,7-triium-2-carbonitrile
Molecular Mass 300.266 g·mol−1
Heat of Formation 1878.2 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 324.01 Å 3
Surface Area 313.82 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -3.33 ± eV
Point Group Symmetry C1
InChIKey SZYYBVWPURUFRR-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F N