Sofinicline

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Properties Simple | Detailed

Formula C10H11Cl2N3
IUPAC Name (1s,3s,5s)-3-(5,6-dichloro-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane
Molecular Mass 244.120 g·mol−1
Heat of Formation 200.9 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 263.34 Å 3
Surface Area 243.97 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5s)-3-(5,6-dichloro-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane
  • (1s,5s)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane
InChIKey MBQYQLWSBRANKQ-IMTBSYHQSA-N
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Elements H C N Cl