3-Isobutyl-8-Pyrrolidinoxanthine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H23N5O2
IUPAC Name 3-isobutyl-8-pyrrolidin-1-yl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 281.354 g·mol−1
Heat of Formation -265.6 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 333.06 Å 3
Surface Area 286.0 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-methylpropyl)-8-pyrrolidin-1-yl-7h-purine-2,6-dione
  • 3-isobutyl-8-1-pyrrolidinyl-7h-purine-2,6-dione
  • 3-isobutyl-8-pyrrolidin-1-yl-7h-purine-2,6-dione
  • 3-isobutyl-8-pyrrolidin-1-yl-7h-purine-2,6-quinone
InChIKey KHQOTPZSYMSVHB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N