2-(1-{4-[(4-Chlorophenoxy)Acetyl]-1-Piperazinyl}Ethyl)-3-(2-Ethoxyphenyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C30H32ClN4O4
IUPAC Name 2-[(1r)-1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-1-ium-4a-id-4-one
Molecular Mass 548.052 g·mol−1
Heat of Formation -343.2 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 635.26 Å 3
Surface Area 454.42 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey BKQFRNYHFIQEKN-OAQYLSRUSA-N
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Elements H C N O Cl