2-(2-(3,4-Dichlorophenyl)-2,3-Dihydro-1H-Isoindol-5-Ylamino)Nicotinic Acid

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Properties Simple | Detailed

Formula C20H15Cl2N3O2
IUPAC Name 2-[[(2r)-2-(3,4-dichlorophenyl)isoindolin-5-yl]amino]pyridine-3-carboxylic acid
Molecular Mass 400.258 g·mol−1
Heat of Formation -77.2 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 428.03 Å 3
Surface Area 384.59 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey WNXIPCSWXVTKQF-UHFFFAOYSA-N
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Elements H C N O Cl