(2S,3R,5R,6S,10S,13S)-2,6-Dimethyl-8-Azahexacyclo[11.6.1.0~2,10~.0~3,8~.0~5,19~.0~16,20~]Icosa-1(20),16,18-Triene

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Properties Simple | Detailed

Formula C21H27N
IUPAC Name daphenylline
Molecular Mass 293.446 g·mol−1
Heat of Formation 1.9 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 370.43 Å 3
Surface Area 292.51 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
InChIKey FRNKVSPOMBSICI-GFIDMXBQSA-N
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Elements H C N