3-Acetyl-5-Hydroxy-4,5-Dimethyl-1-Octyl-1,5-Dihydro-2H-Pyrrol-2-One

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Properties Simple | Detailed

Formula C16H27NO3
IUPAC Name (5r)-3-acetyl-5-hydroxy-4,5-dimethyl-1-octyl-pyrrol-2-one
Molecular Mass 281.390 g·mol−1
Heat of Formation -691.7 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 376.72 Å 3
Surface Area 342.69 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey IWFCPVZRZLDTPI-MRXNPFEDSA-N
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