3-(6-Isobutoxy-2-Naphthyl)-1-[(1-Methyl-4-Piperidyl)Methyl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C26H33N6O
IUPAC Name 3-(6-isobutoxy-2-naphthyl)-1-[(1-methyl-4-piperidyl)methyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 445.580 g·mol−1
Heat of Formation 204.2 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 553.18 Å 3
Surface Area 477.6 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey FTHZBDYKMKQUSZ-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N