4-{7-Amino-3-[3-(4-Methyl-1-Piperazinyl)Phenyl]-6,7-Dihydropyrazolo[1,5-A]Pyrimidin-6-Yl}Phenol

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Properties Simple | Detailed

Formula C23H26N6O
IUPAC Name 4-[(6r,7r)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-8-ium-3a-ylium-6-yl]phenol
Molecular Mass 402.492 g·mol−1
Heat of Formation 354.8 ± 16.7 kJ·mol−1
Dipole Moment 0.30 ± 1.08 D
Volume 484.02 Å 3
Surface Area 418.53 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey KIMZUJNGIVVWNZ-RBBKRZOGSA-N
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