(3S,3Ar)-2-(3-Chloro-4-Cyanophenyl)-3-Cyclopentyl-3,3A,4,5-Tetrahydro-2H-Benzo[G]Indazole-7-Carboxylic Acid

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Formula C24H22ClN3O2
IUPAC Name (3s,3ar)-2-(3-chloro-4-cyano-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid
Molecular Mass 419.903 g·mol−1
Heat of Formation -2.6 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 483.89 Å 3
Surface Area 413.74 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey XNULRSOGWPFPBL-REWPJTCUSA-N
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Elements H C N O Cl