2-Propyl-3-[[2'-(1H-Tetrazol-5-Yl)Biphenyl-4-Yl]Methyl]-5,6,7,8-Tetrahydrocycloheptaimidazol-4(3H)-One

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Formula C25H26N6O
IUPAC Name 2-propyl-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
Molecular Mass 426.514 g·mol−1
Heat of Formation 857.5 ± 16.7 kJ·mol−1
Dipole Moment 10.87 ± 1.08 D
Volume 514.58 Å 3
Surface Area 389.2 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -3.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propyl-3-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
  • 2-propyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
InChIKey KCTFTBCZZUBAKN-UHFFFAOYSA-N
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