(E)-1-[4-(4-Amino-6,7-Dimethoxy-Quinazoline-1,3-Diium-4A-Id-2-Yl)Piperazin-1-Yl]-3-(4-Azidophenyl)Prop-2-En-1-One

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Properties Simple | Detailed

Formula C23H26N8O3
IUPAC Name (e)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-[4-[(imino-λ5-azanylidene)amino]phenyl]prop-2-en-1-one
Molecular Mass 462.504 g·mol−1
Heat of Formation 254.9 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 531.51 Å 3
Surface Area 477.15 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey LUJFQAAXBZQBNU-VMPITWQZSA-N
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