4-({4-[(4-Azido-2,6-Dimethylphenyl)Amino]-2-Pyrimidinyl}Amino)Benzonitrile

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Properties Simple | Detailed

Formula C19H16N8
IUPAC Name 4-[[4-(4-azido-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile
Molecular Mass 356.384 g·mol−1
Heat of Formation 753.1 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 425.4 Å 3
Surface Area 382.84 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
InChIKey KZDLJLMOKHRBDK-UHFFFAOYSA-N
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Elements H C N