2-[3-(Trifluoromethyl)Anilino]-3,7-Dihydropurine-1,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C12H15F3N5O+ |
IUPAC Name | (2r,4s,5r)-2-[3-(trifluoromethyl)anilino]-1,2,3,4,5,7,8,9-octahydropurin-3-ium-6-one |
Molecular Mass | 302.276 g·mol−1 |
Heat of Formation | -433.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.42 ± 1.08 D |
Volume | 299.85 Å 3 |
Surface Area | 278.37 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | 2.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | LRVPELYYPPSBFQ-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |