2-Amino-1-{3-[(4-Chlorophenyl)Amino]-2-(4-Fluorophenyl)-8,8-Dimethyl-5,6-Dihydroimidazo[1,2-A]Pyrazin-7(8H)-Yl}Ethanone

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Properties Simple | Detailed

Formula C22H23ClFN5O
IUPAC Name 2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-4-ium-8a-ylium-7-yl]ethanone
Molecular Mass 427.902 g·mol−1
Heat of Formation -74.2 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 495.02 Å 3
Surface Area 402.29 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey KFSKTWYDIHJITF-UHFFFAOYSA-N
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Elements C F H Cl O N