2-{[(2-{[(E)-2-(Dimethylamino)Vinyl](Ethyl)Amino}-2-Oxoethyl)Amino]Methyl}Isonicotinic Acid

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Properties Simple | Detailed

Formula C15H22N4O3
IUPAC Name 2-[[[2-[[(e)-2-(dimethylamino)vinyl]-ethyl-amino]-2-oxo-ethyl]amino]methyl]pyridine-4-carboxylic acid
Molecular Mass 306.360 g·mol−1
Heat of Formation -347.3 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 380.33 Å 3
Surface Area 354.25 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey RTKGUAPXWDCFNW-BQYQJAHWSA-N
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