(2S)-N~1~-(2-Chloroethyl)-N~1~-Nitroso-1,2-Pyrrolidinedicarboxamide

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Properties Simple | Detailed

Formula C8H13ClN4O3
IUPAC Name (2s)-n1-(2-chloroethyl)-n1-nitroso-pyrrolidine-1,2-dicarboxamide
Molecular Mass 248.667 g·mol−1
Heat of Formation -405.0 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 271.09 Å 3
Surface Area 250.95 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(2-chloroethyl)-n-nitroso-pyrrolidine-1,2-dicarboxamide
  • (2s)-n-(2-chloroethyl)-n-nitrosopyrrolidine-1,2-dicarboxamide
  • (s)-n(sup 1)-(2-chloroethyl)-n(sup 1)-nitroso-1,2-pyrrolidinedicarboxamide
  • 1,2-pyrrolidinedicarboxamide, n(sup 1)-(2-chloroethyl)-n(sup 1)-nitroso-, (s)-
  • n-(2-chloroethyl)-n-nitrosocarbamoylvalinamide
CAS Number(s)
  • 81965-44-8
InChIKey ZOBZYPPNZPDEHJ-LURJTMIESA-N
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Elements H C N O Cl