5-{(2S)-2-[(Isonicotinoylamino)Methyl]-4-Methylpentyl}-1,3-Benzodioxole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C21H24N2O5
IUPAC Name 5-[(2s)-4-methyl-2-[(pyridine-4-carbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 384.426 g·mol−1
Heat of Formation -717.8 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 464.56 Å 3
Surface Area 367.21 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey MNUFCQCGIBAEIV-AWEZNQCLSA-N
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