7-Cyclopentyl-N,N-Dimethyl-2-[(5-Piperazin-1-Ylpyridin-1-Ium-5-Id-2-Yl)Amino]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-6-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C23H32N8O
IUPAC Name 7-cyclopentyl-n,n-dimethyl-2-[(5-piperazin-1-ylpyridin-1-ium-5-id-2-yl)amino]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-6-carboxamide
Molecular Mass 436.553 g·mol−1
Heat of Formation 238.5 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 523.17 Å 3
Surface Area 448.97 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey IWABRNIUNKFPBZ-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N