2-Amino-8-Bromo-1,7-Dihydropurine-3,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C5H6BrN5O |
IUPAC Name | 2-amino-8-bromo-1,7-dihydropurine-3,9-diium-5-id-6-one |
Molecular Mass | 232.038 g·mol−1 |
Heat of Formation | 105.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.53 ± 1.08 D |
Volume | 187.43 Å 3 |
Surface Area | 189.47 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 2.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | WLNNIAHCIVAGFM-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C Br O N |