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

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Formula C14H16N5
IUPAC Name 5-(2-phenylethyl)-7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-2,4-diamine
Molecular Mass 254.310 g·mol−1
Heat of Formation 257.2 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 303.56 Å 3
Surface Area 274.49 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
InChIKey MGQFVODICYACIT-UHFFFAOYSA-O
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Elements H C N