1-{4-[(2-Chloroethyl)(Methyl)Amino]-2-Butyn-1-Yl}-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C11H17ClN2O
IUPAC Name 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
Molecular Mass 228.718 g·mol−1
Heat of Formation -31.7 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 288.83 Å 3
Surface Area 253.34 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 3.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(2-chloroethyl-methyl-amino)but-2-ynyl]-2-pyrrolidone
  • 1-[4-(2-chloroethyl-methyl-amino)but-2-ynyl]pyrrolidin-2-one
  • 1-[4-(2-chloroethyl-methylamino)but-2-ynyl]-2-pyrrolidinone
InChIKey NGGDWOKJXSQADN-UHFFFAOYSA-N
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Elements H C N O Cl