Cycloxazoline

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Properties Simple | Detailed

Formula C27H42N6O6
IUPAC Name cycloxazoline
Molecular Mass 546.659 g·mol−1
Heat of Formation -1024.2 ± 16.7 kJ·mol−1
Dipole Moment 7.05 ± 1.08 D
Volume 698.21 Å 3
Surface Area 502.97 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo(17.2.1.1(5,8).1(12,15))tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione, 7,14,21-trimethyl-4,11,18-tris(1-methylethyl)-, (1s-(1r*,4r*,7s*,8r*,11r*,14s*,15r*,18r*,21s*))-
  • trisoxazoline
  • westiellamide
CAS Number(s)
  • 131998-54-4
InChIKey MIDTUAMKJJDHAR-YAWPOEEYSA-N
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DOI
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