(2E)-3-(6-Bromo-2-Pyridinyl)-2-Cyano-N-[(1S)-1-Phenylethyl]Acrylamide

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Properties Simple | Detailed

Formula C17H14BrN3O
IUPAC Name (e)-3-(6-bromo-2-pyridyl)-2-cyano-n-[(1s)-1-phenylethyl]prop-2-enamide
Molecular Mass 356.217 g·mol−1
Heat of Formation 241.7 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 376.44 Å 3
Surface Area 343.55 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(6-bromo-2-pyridyl)-2-cyano-n-[(1s)-1-phenylethyl]acrylamide
  • (e)-3-(6-bromo-2-pyridyl)-2-cyano-n-[(1s)-1-phenylethyl]prop-2-enamide
  • (e)-3-(6-bromopyridin-2-yl)-2-cyano-n-[(1s)-1-phenylethyl]prop-2-enamide
InChIKey VFUAJMPDXIRPKO-LQELWAHVSA-N
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Elements H C O Br N