4-[(3-Aminophenyl)Amino]Pyrido[2,3-D]Pyrimidin-5(8H)-One

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Properties Simple | Detailed

Formula C13H12N5O
IUPAC Name 4-(3-aminoanilino)-8h-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-5-one
Molecular Mass 254.267 g·mol−1
Heat of Formation 137.4 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 281.27 Å 3
Surface Area 265.72 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey ZHTCGJQGXHCVHH-UHFFFAOYSA-O
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