1-(4-Hydroxy-3,5-Ditert-Butylbenzoyl)Homopiperazine

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Properties Simple | Detailed

Formula C20H32N2O2
IUPAC Name 1,4-diazepan-1-yl-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone
Molecular Mass 332.480 g·mol−1
Heat of Formation -437.1 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 440.86 Å 3
Surface Area 361.18 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-diazepan-1-yl-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
  • 1h-1,4-diazepine, 1-(3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl)hexahydro-
  • a 854777
CAS Number(s)
  • 117009-82-2
InChIKey LYRRSBJFMOFHBF-UHFFFAOYSA-N
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