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Properties Simple | Detailed

Formula C21H25N3O3
IUPAC Name ethyl n-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Molecular Mass 367.442 g·mol−1
Heat of Formation -352.1 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 446.32 Å 3
Surface Area 385.52 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 3-carbethoxyamino-5-dimethylaminoacetyl-10,11(5h)-dihydrodibenz[b,f]azepine
  • bas 01947568
  • cbdive_007672
  • cbdive_008726
  • ethyl 5-(n,n-dimethylglycyl)-10,11-dihydro-5h-dibenz(b,f)azepine-3-carbamate
  • ethyl 5-[(dimethylamino)acetyl]-10,11-dihydro-5h-dibenzo[b,f]azepin-3-ylcarbamate
  • ethyl n-[11-(2-dimethylaminoacetyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamate
  • ethyl n-[11-(2-dimethylaminoethanoyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamate
  • n-[11-(2-dimethylamino-1-oxoethyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamic acid ethyl ester
  • n-[11-(2-dimethylaminoacetyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamic acid ethyl ester
  • tiracizine
CAS Number(s)
  • 83275-56-3
InChIKey KJAMZCVTJDTESW-UHFFFAOYSA-N
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