7-Isobutyl-5-Methyl-2-(1-Naphthylmethyl)-3-(3H-Pyridin-1-Ium-3-Id-4-Yl)Pyrazolo[3,4-D]Pyrimidine-1,3,3A,7A-Tetraide-4,6-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C26H30N5O2
IUPAC Name 7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(3h-pyridin-1-ium-3-id-4-yl)pyrazolo[3,4-d]pyrimidine-1,3,3a,7a-tetraide-4,6-dione
Molecular Mass 444.549 g·mol−1
Heat of Formation 81.1 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 530.57 Å 3
Surface Area 403.07 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
InChIKey RQPLDUCRQMRGRH-UHFFFAOYSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N