2-Amino-7-(2-Fluoroethyl)-3H-Purine-1,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C7H15FN5O+ |
IUPAC Name | (2s,4r,5s)-2-amino-7-(2-fluoroethyl)-2,3,4,5,8,9-hexahydro-1h-purin-3-ium-6-one |
Molecular Mass | 204.225 g·mol−1 |
Heat of Formation | -106.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.56 ± 1.08 D |
Volume | 211.93 Å 3 |
Surface Area | 204.11 Å 2 |
HOMO Energy | -9.21 ± 0.55 eV |
LUMO Energy | -0.41 ± eV |
Point Group Symmetry | C1 |
InChIKey | KVDLNVSKKZEHGF-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |