7-Chloro-5-(1H-Pyrrol-2-Yl)-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C13H10ClN3O
IUPAC Name 7-chloro-5-pyrrol-1-ium-2-ylium-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular Mass 259.691 g·mol−1
Heat of Formation 111.0 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 284.61 Å 3
Surface Area 259.82 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1h-pyrrol-2-yl)-
  • 2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrrol-2-yl-
  • 7-chloro-5-(2-pyrryl)-3h-1,4-benzodiazepin-2(h)-one
  • ro 5-3335
  • ro5-3335
CAS Number(s)
  • 30195-30-3
InChIKey XWNMORIHKRROGW-UHFFFAOYSA-N
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Elements H C N O Cl