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

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Properties Simple | Detailed

Formula C14H17N7O4
IUPAC Name 2-[(2-aminopyrimidine-1,3-diium-5-id-5-yl)methylamino]-4-(2-hydroxyethylamino)-5-nitro-benzamide
Molecular Mass 347.329 g·mol−1
Heat of Formation -207.3 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 383.65 Å 3
Surface Area 352.53 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey UVAINGJABYVRRT-UHFFFAOYSA-N
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