3-{[(4-{[(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)Methyl]Amino}Butyl)Amino]Methyl}Benzoic Acid

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Formula C17H22N4O4++
IUPAC Name 3-[[4-[(2,6-dioxo-5h-pyrimidin-3-ium-5-id-4-yl)methylamino]butylamino]methyl]benzoic acid
Molecular Mass 346.381 g·mol−1
Heat of Formation -601.2 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 416.49 Å 3
Surface Area 394.9 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey PLKKHOGCWCJFJX-UHFFFAOYSA-N
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