1-(3-{4-[(1Z)-1,2-Diphenyl-1-Buten-1-Yl]Phenoxy}Propyl)Aziridine

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Properties Simple | Detailed

Formula C27H29NO
IUPAC Name 1-[3-[4-[(z)-1,2-diphenylbut-1-enyl]phenoxy]propyl]aziridine
Molecular Mass 383.525 g·mol−1
Heat of Formation 235.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 510.26 Å 3
Surface Area 428.81 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]propyl]aziridine
  • 1-[3-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]propyl]ethylenimine
  • homotamoxifen aziridine
CAS Number(s)
  • 79642-43-6
InChIKey BPYLOCJBOMJRDS-RQZHXJHFSA-N
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