6-(4-Bromophenyl)-5-Phenyl-7H-Pyrrolo[2,3-D]Pyrimidine-2,4-Diamine

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Formula C18H14BrN5
IUPAC Name 6-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-ium-4a-ide-2,4-diamine
Molecular Mass 380.241 g·mol−1
Heat of Formation 407.3 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 386.18 Å 3
Surface Area 333.5 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey BIHWLSDQBFEANX-UHFFFAOYSA-N
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Elements H C Br N