2-[(2-Aminopyrimidine-1,3-Diium-5-Id-5-Yl)Methylamino]-4-Chloro-5-Nitro-Benzamide
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
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Elements | H C Cl O N |