(1S,9S)-9-Amino-6,10-Dioxooctahydro-6H-Pyridazino[1,2-A][1,2]Diazepine-1-Carboxylic Acid

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Formula C10H15N3O4
IUPAC Name (4s,7s)-7-amino-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-4-carboxylic acid
Molecular Mass 241.244 g·mol−1
Heat of Formation -619.8 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 269.55 Å 3
Surface Area 231.94 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,9s)-9-amino-6,10-diketo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-1-carboxylic acid
  • (1s,9s)-9-amino-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
  • (1s,9s)-9-amino-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-1-carboxylic acid
  • 9-amino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
InChIKey NWQJXXUYZOCKFS-BQBZGAKWSA-N
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