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

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Properties Simple | Detailed

Formula C16H20N7O4
IUPAC Name 2-[(2-aminopyrimidine-1,3-diium-5-id-5-yl)methylamino]-4-morpholino-5-nitro-benzamide
Molecular Mass 374.375 g·mol−1
Heat of Formation -110.7 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 412.66 Å 3
Surface Area 367.29 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey XMAXDEHVFOUNIL-UHFFFAOYSA-N
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