[4-Amino-1-(4-Chlorobenzyl)-2-Methyl-5-Phenyl-1H-Pyrrol-3-Yl](Phenyl)Methanone

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Properties Simple | Detailed

Formula C25H21ClN2O
IUPAC Name [4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-pyrrol-1-ium-5-ylium-3-yl]-phenyl-methanone
Molecular Mass 400.900 g·mol−1
Heat of Formation 172.8 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 481.35 Å 3
Surface Area 380.51 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey KGXYGMKEFDUWNB-UHFFFAOYSA-N
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Elements H C N O Cl