(1S,7S)-7-Amino-7-Benzyl-8-Oxohexahydro-1H-Pyrazolo[1,2-A]Pyridazine-1-Carbaldehyde

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Formula C15H19N3O2
IUPAC Name (3s,6s,9r)-6-amino-6-benzyl-5-oxo-2,3,7,8-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-3-carbaldehyde
Molecular Mass 273.330 g·mol−1
Heat of Formation -106.7 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 331.89 Å 3
Surface Area 275.42 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,7s)-7-amino-7-(benzyl)-8-keto-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carbaldehyde
  • (1s,7s)-7-amino-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carbaldehyde
  • (1s,7s)-7-amino-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxaldehyde
  • 3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1,6-diazanonan-2-one
  • mol
InChIKey JVDDTUQPPBUQDD-DZGCQCFKSA-N
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