(3S,3Ar)-2-(3-Chloro-4-Cyanophenyl)-3-Cyclopentyl-3,3A,4,5-Tetrahydro-2H-Benzo[G]Indazole-7-Carboxylic Acid
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |