Theacrine

Molecule SVG Image

Properties Simple | Detailed

Formula C9H14N4O3
IUPAC Name 1,3,7,9-tetramethylpurine-4,5-diide-2,6,8-trione
Molecular Mass 226.232 g·mol−1
Heat of Formation -410.6 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 249.18 Å 3
Surface Area 230.39 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry Cs
CAS Number(s)
  • 2309-49-1
InChIKey QGDOQULISIQFHQ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N