N-[5-[[3-Cyano-7-[(3-Methyl-4H-Imidazol-1-Ium-4-Id-5-Yl)Amino]Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-5-Yl]Amino]-2-Methyl-Phenyl]Acetamide

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Properties Simple | Detailed

Formula C20H20N9O+
IUPAC Name n-[5-[[3-cyano-7-[(1-methylimidazol-4-yl)amino]-1h-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]-2-methyl-phenyl]acetamide
Molecular Mass 402.433 g·mol−1
Heat of Formation 502.4 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 466.01 Å 3
Surface Area 419.85 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey CCTPIQWQDSRHJZ-UHFFFAOYSA-O
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