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

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Formula C18H26N9O3
IUPAC Name 2-[(2-aminopyrimidine-1,3-diium-5-id-5-yl)methylamino]-5-nitro-4-(2-piperazin-1-ylethylamino)benzamide
Molecular Mass 416.458 g·mol−1
Heat of Formation 22.0 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 478.38 Å 3
Surface Area 431.9 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey PJPKZYQZGFUILG-UHFFFAOYSA-N
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