5-[Methyl(3-Pyridinylmethyl)Amino]-2-(Propionylamino)Benzoic Acid

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Formula C17H19N3O3
IUPAC Name 5-[methyl(3-pyridylmethyl)amino]-2-(propanoylamino)benzoic acid
Molecular Mass 313.351 g·mol−1
Heat of Formation -382.0 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 375.61 Å 3
Surface Area 323.04 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey GXDVHWJUYDHZKB-UHFFFAOYSA-N
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