4-Chloro-5-Nitro-2-(Pyrimidine-1,3-Diium-5-Id-5-Ylmethylamino)Benzamide

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Properties Simple | Detailed

Formula C12H10ClN5O3
IUPAC Name 4-chloro-5-nitro-2-(pyrimidine-1,3-diium-5-id-5-ylmethylamino)benzamide
Molecular Mass 307.692 g·mol−1
Heat of Formation 17.5 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 320.23 Å 3
Surface Area 296.07 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
InChIKey BLYOBHAKFCIIOX-UHFFFAOYSA-N
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