N-Methyl-2-{2-[(1S,9R,10S,15R,16R)-12,14,14,19-Tetramethyl-8,19-Diazapentacyclo[7.7.3.0~1,9~.0~2,7~.0~10,15~]Nonadeca-2,4,6,11-Tetraen-16-Yl]-1H-Indol-3-Yl}Ethanamine

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Formula C32H40N4
IUPAC Name n-methyl-2-{2-[(1s,9r,10s,15r,16r)-12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.0 1,9 .0 2,7 .0 10,15 ]nonadeca-2,4,6,11-tetraen-16-yl]-1h-indol-3-yl}ethanamine
Molecular Mass 480.687 g·mol−1
Heat of Formation 205.4 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 619.25 Å 3
Surface Area 458.78 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
Synonyms
  • borreverine
CAS Number(s)
  • 51109-65-0
InChIKey PHMBUGRSZKDHNS-QGEDZZHQSA-N
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Elements H C N