1-(3-Nitrophenyl)-3-(3H-Pyridin-1-Ium-3-Id-4-Ylmethyl)Pyrido[2,3-D]Pyrimidin-8-Ium-4A-Ide-2,4-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C19H15N5O4
IUPAC Name 1-(3-nitrophenyl)-3-(3h-pyridin-1-ium-3-id-4-ylmethyl)pyrido[2,3-d]pyrimidin-8-ium-4a-ide-2,4-dione
Molecular Mass 377.353 g·mol−1
Heat of Formation 48.5 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 406.79 Å 3
Surface Area 355.25 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey RYQVQZHFDSFWIK-UHFFFAOYSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N