5,6-Diphenyl-7H-Pyrrolo[2,3-D]Pyrimidine-2,4-Diamine

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Formula C18H15N5
IUPAC Name 5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Molecular Mass 301.345 g·mol−1
Heat of Formation 394.0 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 354.54 Å 3
Surface Area 310.02 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey ALHDUYCWXQUVGC-UHFFFAOYSA-N
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Elements H C N