5-(2-Propoxyphenyl)Triazolo[4,5-D]Pyrimidine-2,3,4,6-Tetraium-7-One
Properties
Property | Value |
---|---|
Formula | C13H15N5O2 |
IUPAC Name | 5-(2-propoxyphenyl)triazolo[4,5-d]pyrimidine-2,3,4,6-tetraium-7-one |
Molecular Mass | 273.291 g·mol−1 |
Heat of Formation | 238.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.56 ± 1.08 D |
Volume | 311.23 Å 3 |
Surface Area | 289.83 Å 2 |
HOMO Energy | -9.05 ± 0.55 eV |
LUMO Energy | 1.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | AZBWBPUQTPMCDI-UHFFFAOYSA-O |
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Elements | H C O N |