7-But-2-Ynyl-9-(6-Methoxypyridin-1-Ium-3-Id-3-Yl)-6-Piperazin-1-Yl-Purine-1,3-Diium-5-Id-8-One

Molecule SVG Image

Properties Simple | Detailed

Formula C19H23N7O2
IUPAC Name 7-but-2-ynyl-9-(6-methoxypyridin-1-ium-3-id-3-yl)-6-piperazin-1-yl-purine-1,3-diium-5-id-8-one
Molecular Mass 381.432 g·mol−1
Heat of Formation 284.9 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 443.35 Å 3
Surface Area 374.13 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey PHVFUIJYVRGDRE-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N