[Hydroxymethyl-[4-[(E)-2-(5-Nitro-2-Furyl)Vinyl]-5H-Pyrimidine-1,3-Diium-5-Id-2-Yl]Amino]Methanol

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Formula C12H13N4O5
IUPAC Name [hydroxymethyl-[4-[(e)-2-(5-nitro-2-furyl)vinyl]-5h-pyrimidine-1,3-diium-5-id-2-yl]amino]methanol
Molecular Mass 293.255 g·mol−1
Heat of Formation -190.3 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 322.07 Å 3
Surface Area 304.44 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
InChIKey MRCVCSKNWNYGRW-OWOJBTEDSA-N
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