2-[(2-Aminopyrimidine-1,3-Diium-5-Id-5-Yl)Methylamino]-4-Chloro-5-Nitro-Benzamide

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Properties Simple | Detailed

Formula C12H11ClN6O3
IUPAC Name 2-[(2-aminopyrimidine-1,3-diium-5-id-5-yl)methylamino]-4-chloro-5-nitro-benzamide
Molecular Mass 322.707 g·mol−1
Heat of Formation -6.9 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 333.97 Å 3
Surface Area 310.03 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey PIZKVMGNMZRXEA-UHFFFAOYSA-N
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