5-Chloro-6-{[(2Z)-2-Imino-1-Pyrrolidinyl]Methyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H11ClN4O2
IUPAC Name 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 242.662 g·mol−1
Heat of Formation -292.1 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 261.39 Å 3
Surface Area 229.19 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey QQHMKNYGKVVGCZ-WDZFZDKYSA-N
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Elements H C N O Cl