(3R)-3-(7-Amino-1-Methyl-4,5-Dioxo-1,4,5,6-Tetrahydropyrimido[4,5-C]Pyridazin-3-Yl)Butanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H18N5O4+
IUPAC Name (3r)-3-(7-amino-1-methyl-4,5-dioxo-8h-pyrimido[4,5-c]pyridazin-6-ium-2,3,4a,8a-tetraid-3-yl)butanoic acid
Molecular Mass 284.292 g·mol−1
Heat of Formation -432.5 ± 16.7 kJ·mol−1
Dipole Moment 11.92 ± 1.08 D
Volume 306.71 Å 3
Surface Area 281.91 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
InChIKey SXWJQNIIWHUAJQ-SCSAIBSYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N