2-Chloro-3,7-Dihydropurine-1,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C5H10ClN4O+ |
IUPAC Name | (2r,4s,5s)-2-chloro-1,2,3,4,5,7,8,9-octahydropurin-3-ium-6-one |
Molecular Mass | 177.612 g·mol−1 |
Heat of Formation | 91.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.66 ± 1.08 D |
Volume | 166.44 Å 3 |
Surface Area | 169.5 Å 2 |
HOMO Energy | -9.68 ± 0.55 eV |
LUMO Energy | 2.09 ± eV |
Point Group Symmetry | Cs |
InChIKey | ALBQPTQHEBDWLQ-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |