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

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Properties Simple | Detailed

Formula C9H15N3O2
IUPAC Name (3s,6s,9r)-6-amino-6-methyl-5-oxo-2,3,7,8-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-3-carbaldehyde
Molecular Mass 197.234 g·mol−1
Heat of Formation -215.5 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 238.6 Å 3
Surface Area 215.41 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,7s)-7-amino-7-methyl-8-oxo-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carbaldehyde
  • (1s,7s)-7-amino-7-methyl-8-oxo-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxaldehyde
  • (1s,7s)-7-amino-8-keto-7-methyl-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carbaldehyde
  • bcy
  • carboxyamino[4.3.0]bicyclo1,6-diazanonan-2-one
InChIKey DBXOZYHJFAKQPU-CBAPKCEASA-N
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