3-Phenyl-5,6-Dihydro-4H-Pyrrolo[1,2-B]Pyrazole

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Properties Simple | Detailed

Formula C12H12N2
IUPAC Name 3-phenyl-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole
Molecular Mass 184.237 g·mol−1
Heat of Formation 296.7 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 230.07 Å 3
Surface Area 220.47 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 3-phenyl-5,6-dihydro-4h-pyrrolo[2,1-e]pyrazole
  • 4h-pyrrolo[1,2-b]pyrazole, 5,6-dihydro-3-phenyl-
  • withasomnine
CAS Number(s)
  • 10183-74-1
InChIKey FOJCJLSJZFQCID-UHFFFAOYSA-N
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