Tamoxifen N-Oxide

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Properties Simple | Detailed

Formula C26H29NO2
IUPAC Name 2-[4-[(z)-1,2-diphenylbut-1-enyl]phenoxy]-n,n-dimethyl-ethanamine oxide
Molecular Mass 387.514 g·mol−1
Heat of Formation 97.8 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 503.22 Å 3
Surface Area 409.68 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]-n,n-dimethyl-ethanamine oxide
  • 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]-n,n-dimethylethanamine oxide
  • ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-n,n-dimethyl-, n-oxide, (z)-
  • tamoxifen epoxide
CAS Number(s)
  • 75504-34-6
InChIKey YAASNACECBQAFW-QPLCGJKRSA-N
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