(3S,6S,9S)-6-Amino-6-Benzyl-5-Oxo-2,3,7,8-Tetrahydro-1H-Pyrazolo[1,2-A]Pyridazine-3-Carboxylic Acid

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Formula C15H19N3O3
IUPAC Name (3s,6s,9s)-6-amino-6-benzyl-5-oxo-2,3,7,8-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-3-carboxylic acid
Molecular Mass 289.330 g·mol−1
Heat of Formation -345.2 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 344.65 Å 3
Surface Area 290.29 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
InChIKey VSGVOMMUKACZDZ-SWLSCSKDSA-N
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