N~6~-(2-{[4-(2,4-Dichlorophenyl)-5-(1H-Imidazol-1-Yl)-2-Pyrimidinyl]Amino}Ethyl)-3-Nitro-2,6-Pyridinediamine

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Formula C20H17Cl2N9O2
IUPAC Name n6-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethyl]-3-nitro-pyridine-2,6-diamine
Molecular Mass 486.314 g·mol−1
Heat of Formation 425.1 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 521.23 Å 3
Surface Area 448.01 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
InChIKey MDZCSIDIPDZWKL-UHFFFAOYSA-N
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Elements H C N O Cl