2,2-Dichloro-1-(4-{[1-Ethoxy-2-(4-Nitrophenyl)-2-Oxoethyl]Amino}Phenyl)Ethanone

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Properties Simple | Detailed

Formula C18H11Cl2N2O5
IUPAC Name 4,4-dichloro-9-methyl-11-(4-nitrobenzoyl)-10-oxa-12-azoniabicyclo[6.4.0]dodeca-1(12),8,11-trien-6-yn-5-one
Molecular Mass 406.196 g·mol−1
Heat of Formation 1921.6 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 396.72 Å 3
Surface Area 357.06 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey YCBRVFDYHBASDX-SFHVURJKSA-N
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Elements C N O Cl