5,5-Dichloro-4-(Chloroamino)-6-Hydroxy-1-Methyl-5,6-Dihydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C5H6Cl3N3O2
IUPAC Name (4z,6s)-5,5-dichloro-4-chloroimino-6-hydroxy-1-methyl-hexahydropyrimidin-2-one
Molecular Mass 246.479 g·mol−1
Heat of Formation -293.0 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 227.03 Å 3
Surface Area 211.86 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey CKXUHMFPSDTJPS-VKHMYHEASA-N
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Elements H C N O Cl