N~4~-(2-Chlorophenyl)-N~2~-[4-(1H-Tetrazol-5-Yl)Phenyl]-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C17H13ClN8
IUPAC Name n4-(2-chlorophenyl)-n2-[4-(2h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
Molecular Mass 364.792 g·mol−1
Heat of Formation 661.4 ± 16.7 kJ·mol−1
Dipole Moment 8.92 ± 1.08 D
Volume 400.41 Å 3
Surface Area 366.21 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey GADYBZMYJCZJLX-UHFFFAOYSA-N
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Elements H C N Cl