Turofexorate Isopropyl

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Properties Simple | Detailed

Formula C25H24F2N2O3
IUPAC Name isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
Molecular Mass 438.466 g·mol−1
Heat of Formation -663.6 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 511.5 Å 3
Surface Area 425.97 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid isopropyl ester
  • 3-[(3,4-difluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid isopropyl ester
  • isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
  • propan-2-yl 3-(3,4-difluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
InChIKey INASOKQDNHHMRE-UHFFFAOYSA-N
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