1-(3-{5-[4-(Aminomethyl)Phenyl]-1H-Pyrrolo[2,3-B]Pyridin-3-Yl}Phenyl)-3-(2-Phenoxyphenyl)Urea

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Formula C33H27N5O2
IUPAC Name 1-[3-[5-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-(2-phenoxyphenyl)urea
Molecular Mass 525.600 g·mol−1
Heat of Formation 292.1 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 619.96 Å 3
Surface Area 548.76 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey KSTUYVHCHCYOAB-UHFFFAOYSA-N
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