[2-(1-Amino-2-Hydroxypropyl)-4-(1H-Imidazol-5-Ylmethylene)-5-Oxo-4,5-Dihydro-1H-Imidazol-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C12H15N5O4
IUPAC Name 2-[(4z)-2-[(1r,2r)-1-amino-2-hydroxy-propyl]-4-(4h-imidazol-3-ium-4-ylium-5-ylmethylene)-5-oxo-imidazol-1-yl]acetic acid
Molecular Mass 293.279 g·mol−1
Heat of Formation -429.3 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 331.71 Å 3
Surface Area 301.29 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey DNKOENNEBPQUKF-GGQHHNJVSA-N
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