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

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Properties Simple | Detailed

Formula C19H18BrN3O
IUPAC Name (e)-3-(6-bromo-2-pyridyl)-2-cyano-n-[(1s)-1-phenylbutyl]prop-2-enamide
Molecular Mass 384.270 g·mol−1
Heat of Formation 198.0 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 421.44 Å 3
Surface Area 379.19 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(6-bromo-2-pyridyl)-2-cyano-n-[(1s)-1-phenylbutyl]acrylamide
  • (e)-3-(6-bromo-2-pyridyl)-2-cyano-n-[(1s)-1-phenylbutyl]prop-2-enamide
InChIKey LIDOPKHSVQTSJY-VMEIHUARSA-N
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Elements H C O Br N