[5-Amino-8-(Aminomethyl)-2-(2-Furyl)-[1,2,4]Triazolo[1,5-C]Pyrimidin-4-Ium-5-Id-7-Yl]-[2-[4-(2-Fluoro-4-Iodo-Phenyl)Piperazin-1-Yl]Ethyl]Azanide

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Properties Simple | Detailed

Formula C22H28FIN9O
IUPAC Name [5-amino-8-(aminomethyl)-2-(2-furyl)-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-5-id-7-yl]-[2-[4-(2-fluoro-4-iodo-phenyl)piperazin-1-yl]ethyl]azanide
Molecular Mass 580.420 g·mol−1
Heat of Formation 443.9 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 556.88 Å 3
Surface Area 492.48 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry C1
InChIKey MAVPKBGHBVOMOF-FYWRMAATSA-O
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