N-(4-((2-Bromoethyl)Methylamino)-2-Butynyl)-5-Methyl-2-Pyrrolidone

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Properties Simple | Detailed

Formula C12H19BrN2O
IUPAC Name (5r)-1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]-5-methyl-pyrrolidin-2-one
Molecular Mass 287.196 g·mol−1
Heat of Formation -10.4 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 318.03 Å 3
Surface Area 269.61 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
InChIKey FVSDMCIPTPSVSW-LLVKDONJSA-N
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Elements H C O Br N