Ethyl (3-Chloro-2-Pyrazinyl)(Cyano)Acetate

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Properties Simple | Detailed

Formula C9H8ClN3O2
IUPAC Name ethyl (2r)-2-(3-chloropyrazin-2-yl)-2-cyano-acetate
Molecular Mass 225.632 g·mol−1
Heat of Formation -79.3 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 250.25 Å 3
Surface Area 237.2 Å 2
HOMO Energy -10.65 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
InChIKey OAFKXQPCHFJKPC-LURJTMIESA-N
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Elements H C N O Cl