(2R)-1-[(5,6-Diphenyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Amino]-2-Propanol

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Properties Simple | Detailed

Formula C21H20N4O
IUPAC Name (2r)-1-[(5,6-diphenylpyrrolo[2,3-d]pyrimidin-7-ium-4-yl)amino]propan-2-ol
Molecular Mass 344.410 g·mol−1
Heat of Formation 170.2 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 419.71 Å 3
Surface Area 353.91 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • df1
InChIKey VBASHTSSQNDDAS-CQSZACIVSA-N
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