2-(2-Furyl)-7-[2-[4-[4-(2-Methoxyethoxy)Phenyl]Piperazin-1-Yl]Ethyl]-[1,2,4]Triazolo[Blah]Pyrazolo[Blah]Pyrimidin-4-Ium-6A-Id-5-Amine

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Properties Simple | Detailed

Formula C25H32N9O3
IUPAC Name 2-(2-furyl)-7-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[blah]pyrazolo[blah]pyrimidin-4-ium-6a-id-5-amine
Molecular Mass 506.580 g·mol−1
Heat of Formation 357.0 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 584.26 Å 3
Surface Area 524.81 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey QTHKQRHRNOLBAD-UHFFFAOYSA-P
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