1-[4-(7-Ethyl-2-Morpholino-Blahbicyclo[4.3.0]Nona-1(6),3,7-Trien-4-Yl)Phenyl]-3-[4-(4-Methylpiperazine-1-Carbonyl)Phenyl]Urea

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Properties Simple | Detailed

Formula C29H36N10O3
IUPAC Name 1-[4-(7-ethyl-2-morpholino-blahbicyclo[4.3.0]nona-1(6),3,7-trien-4-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
Molecular Mass 572.661 g·mol−1
Heat of Formation 98.5 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 669.42 Å 3
Surface Area 569.15 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey AYFIZDZSIZWPMH-UHFFFAOYSA-O
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