N-(1-Ethylpropyl)-3-(4-Methoxy-2-Methyl-Phenyl)-2,5-Dimethyl-Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-7-Amine

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Formula C21H29N4O
IUPAC Name n-(1-ethylpropyl)-3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-amine
Molecular Mass 353.481 g·mol−1
Heat of Formation 36.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 453.55 Å 3
Surface Area 396.73 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
InChIKey BCZGZGSSRSMDRG-UHFFFAOYSA-O
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