3-(4-Methoxy-2-Methyl-Phenyl)-2,5-Dimethyl-N-[(1S)-1-(3-Methyl-Blahcyclopenta-2,3,4-Trien-5-Yl)Propyl]Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-7-Amine

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Properties Simple | Detailed

Formula C22H27N6O2
IUPAC Name 3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-n-[(1s)-1-(3-methyl-blahcyclopenta-2,3,4-trien-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-amine
Molecular Mass 407.489 g·mol−1
Heat of Formation 183.8 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 498.6 Å 3
Surface Area 429.67 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
InChIKey ITYHTVAKAUUIKL-SFHVURJKSA-O
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