N,N'-(1R,2R)-1,2-Cyclohexanediylbis(3,5-Dinitrobenzamide)

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Properties Simple | Detailed

Formula C20H18N6O10
IUPAC Name n-[(1r,2r)-2-[(3,5-dinitrobenzoyl)amino]cyclohexyl]-3,5-dinitro-benzamide
Molecular Mass 502.391 g·mol−1
Heat of Formation -273.7 ± 16.7 kJ·mol−1
Dipole Moment 10.36 ± 1.08 D
Volume 525.69 Å 3
Surface Area 440.62 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -2.18 ± eV
Point Group Symmetry C2
Synonyms
  • benzamide, n,n'-1,2-cyclohexanediylbis(3,5-dinitro-, trans-
  • dach-dnb
  • n,n'-(3,5-dinitrobenzoyl)-1,2-diaminocyclohexane
  • n-[(1r,2r)-2-[(3,5-dinitrobenzoyl)amino]cyclohexyl]-3,5-dinitro-benzamide
  • n-[(1r,2r)-2-[(3,5-dinitrobenzoyl)amino]cyclohexyl]-3,5-dinitrobenzamide
  • n-[(1r,2r)-2-[(3,5-dinitrophenyl)carbonylamino]cyclohexyl]-3,5-dinitro-benzamide
  • n-[(1r,2r)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]cyclohexyl]-3,5-dinitrobenzamide
CAS Number(s)
  • 133226-16-1
InChIKey OAYUEHJARDXAEF-QZTJIDSGSA-N
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