2-Amino-7-(2-Fluoroethyl)-3H-Purine-1,9-Diium-5-Id-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C7H15FN5O+
IUPAC Name (2s,4r,5s)-2-amino-7-(2-fluoroethyl)-2,3,4,5,8,9-hexahydro-1h-purin-3-ium-6-one
Molecular Mass 204.225 g·mol−1
Heat of Formation -106.4 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 211.93 Å 3
Surface Area 204.11 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey KVDLNVSKKZEHGF-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F