2-Cyano-3-Hydroxy-N-(4-Hydroxyphenyl)-3-(1-Methyl-1H-Pyrrol-2-Yl)Propanamide

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Properties Simple | Detailed

Formula C15H15N3O3
IUPAC Name (2s,3r)-2-cyano-3-hydroxy-n-(4-hydroxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
Molecular Mass 285.298 g·mol−1
Heat of Formation -216.2 ± 16.7 kJ·mol−1
Dipole Moment 8.80 ± 1.08 D
Volume 339.12 Å 3
Surface Area 291.93 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
InChIKey LRLZZRHZBAULIT-GXTWGEPZSA-N
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