4-(7-Chloro-2-Methoxy-Benzo[B][1,5]Naphthyridine-1,5-Diium-10-Yl)Imino-2,6-Bis(Pyrrolidin-1-Ylmethyl)Cyclohexa-2,5-Dien-1-One

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Properties Simple | Detailed

Formula C29H32ClN5O2++
IUPAC Name 4-(7-chloro-2-methoxy-benzo[b][1,5]naphthyridine-1,5-diium-10-yl)imino-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one
Molecular Mass 518.050 g·mol−1
Heat of Formation 138.3 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 633.28 Å 3
Surface Area 493.2 Å 2
HOMO Energy -7.21 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey WYELHBYYXQXVGV-UHFFFAOYSA-P
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Elements H C N O Cl