(3S,6S,9S)-6-Amino-6-Benzyl-5-Oxo-2,3,7,8-Tetrahydro-1H-Pyrazolo[1,2-A]Pyridazine-3-Carboxylic Acid
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
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Elements | H C O N |