2-Butyl-3-[[4-[2-(Blahcyclopenta-4,5-Dien-5-Yl)Phenyl]Phenyl]Methyl]-5-(2-Thienylmethyl)Imidazo[4,5-C]Pyridin-1-Ium-3A-Id-4-One

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Properties Simple | Detailed

Formula C29H29N7OS
IUPAC Name 2-butyl-3-[[4-[2-(blahcyclopenta-4,5-dien-5-yl)phenyl]phenyl]methyl]-5-(2-thienylmethyl)imidazo[4,5-c]pyridin-1-ium-3a-id-4-one
Molecular Mass 523.652 g·mol−1
Heat of Formation 558.6 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 628.16 Å 3
Surface Area 477.42 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey GCMOYEBXZXJENH-UHFFFAOYSA-O
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