2-[(2R)-4-[(4-Hydroxyphenyl)Methyl]-2-[2-(4H-Imidazol-3-Ium-4-Ylium-5-Yl)Ethyl]-5-Oxo-2H-Imidazol-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C17H18N4O4
IUPAC Name 2-[(2r)-4-[(4-hydroxyphenyl)methyl]-2-[2-(4h-imidazol-3-ium-4-ylium-5-yl)ethyl]-5-oxo-2h-imidazol-1-yl]acetic acid
Molecular Mass 342.349 g·mol−1
Heat of Formation -394.0 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 403.25 Å 3
Surface Area 353.15 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey JWVFUFONFHIVNM-OAHLLOKOSA-N
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