Cilobradine

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Formula C28H38N2O5
IUPAC Name 3-[[(1s,3s)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
Molecular Mass 482.612 g·mol−1
Heat of Formation -745.0 ± 16.7 kJ·mol−1
Dipole Moment 0.76 ± 1.08 D
Volume 593.54 Å 3
Surface Area 410.98 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy 3.30 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(3s)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 3-[[(3s)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 3-[[(3s)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
InChIKey OBUFMJDDZTXJPY-NRFANRHFSA-N
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