2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl [2,2,2-Trichloro-1-(2-Pyrimidinylamino)Ethyl]Carbamate

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Properties Simple | Detailed

Formula C13H16Cl3N7O4
IUPAC Name 2-(2-methyl-5-nitro-imidazol-3-ium-5-id-1-yl)ethyl n-[(1r)-2,2,2-trichloro-1-(5h-pyrimidine-1,3-diium-5-id-2-ylamino)ethyl]carbamate
Molecular Mass 440.670 g·mol−1
Heat of Formation -218.7 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 450.08 Å 3
Surface Area 344.04 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey ZEXHXVOGJFGTRX-SNVBAGLBSA-N
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Elements H C N O Cl