(2E)-2-[7-Bromo-5-(2-Fluorophenyl)-1-Methyl-1,3-Dihydro-2H-1,4-Benzodiazepin-2-Ylidene]Acetamide

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Formula C18H15BrFN3O
IUPAC Name (2e)-2-[7-bromo-5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-ylidene]acetamide
Molecular Mass 388.234 g·mol−1
Heat of Formation 4.0 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 388.58 Å 3
Surface Area 340.0 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-[7-bromo-5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-ylidene]acetamide
  • (2e)-2-[7-bromo-5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-ylidene]ethanamide
  • acetamide, 2-(7-bromo-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-2h-1,4-benzodiazepin-2-ylidene)-, (e)-
  • kc 2846
  • kc-2846
CAS Number(s)
  • 124783-68-2
InChIKey UXZLCTPPDQCADI-FMIVXFBMSA-N
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Elements C F H O N Br