2-[4-(Methylsulfinyl)Phenyl]-3-(4-Pyridinyl)-6,7-Dihydro-5H-Pyrrolo[1,2-A]Imidazole

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Formula C18H17N3OS
IUPAC Name 2-[4-[(r)-methylsulfinyl]phenyl]-3-(4-pyridyl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-4-ium-7a-ylium
Molecular Mass 323.412 g·mol−1
Heat of Formation 255.8 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 379.61 Å 3
Surface Area 331.51 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey KSEJZTWORQXILM-HSZRJFAPSA-N
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