N-(4-(2-Hydroxycarbamoylvinyl)Benzyl)-4-Pyrrolidin-1-Ylbenzamide

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Properties Simple | Detailed

Formula C21H23N3O3
IUPAC Name n-[[4-[(e)-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]methyl]-4-pyrrolidin-1-yl-benzamide
Molecular Mass 365.426 g·mol−1
Heat of Formation -148.4 ± 16.7 kJ·mol−1
Dipole Moment 8.70 ± 1.08 D
Volume 443.46 Å 3
Surface Area 407.41 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(e)-3-(hydroxyamino)-3-keto-prop-1-enyl]benzyl]-4-pyrrolidin-1-yl-benzamide
  • n-[[4-[(e)-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]methyl]-4-pyrrolidin-1-yl-benzamide
  • n-[[4-[(e)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-4-1-pyrrolidinylbenzamide
  • n-[[4-[(e)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
InChIKey JKVNVKOVLBVYHQ-KPKJPENVSA-N
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