4-{[2-(2-Amino-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Ethyl]Amino}Benzoic Acid

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Formula C15H16N6O3
IUPAC Name 4-[2-(2-amino-4-oxo-7,8-dihydro-3h-pteridine-1,5-diium-6-yl)ethylamino]benzoic acid
Molecular Mass 328.326 g·mol−1
Heat of Formation -258.2 ± 16.7 kJ·mol−1
Dipole Moment 11.78 ± 1.08 D
Volume 369.25 Å 3
Surface Area 341.9 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey KCMJLKPNBXLNNJ-UHFFFAOYSA-O
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