2-Amino-6-(3-Formylphenyl)-4-(1-Pyrrolidinyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C18H16N6O |
IUPAC Name | 2-amino-6-(3-formylphenyl)-4-pyrrolidin-1-yl-7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbonitrile |
Molecular Mass | 332.359 g·mol−1 |
Heat of Formation | 320.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.10 ± 1.08 D |
Volume | 384.9 Å 3 |
Surface Area | 343.88 Å 2 |
HOMO Energy | -8.42 ± 0.55 eV |
LUMO Energy | -1.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | YJUYKLYWYFTFQN-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |