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

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Properties Simple | Detailed

Formula C12H12N5
IUPAC Name 5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-2,4-diamine
Molecular Mass 226.257 g·mol−1
Heat of Formation 303.6 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 259.94 Å 3
Surface Area 242.51 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey LEOTWBKRAWDNPV-UHFFFAOYSA-O
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Elements H C N