(4Bs,5R,10Bs,11R)-13,18-Dimethyl-5,6,11,12-Tetrahydro-5,10B:11,4B-Di(Epiminoethano)Dibenzo[C,H][2,6]Naphthyridine

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Formula C22H26N4
IUPAC Name (4bs,5r,10bs,11r)-13,18-dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine
Molecular Mass 346.469 g·mol−1
Heat of Formation 296.4 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 415.85 Å 3
Surface Area 321.58 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,10s,11r)-21,24-dimethyl-3,12,21,24-tetraazahexacyclo[9.7.3.3(2,10).0(1,10).0(4,9).0(13,18)]tetracosa-4,6,8,13,15,17-hexaene
  • (4bs,5r,10bs,11r)-13,18-dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h]-2,6-naphthyridine
  • bpbio1_000518
  • calycanthine
CAS Number(s)
  • 595-05-1
InChIKey XSYCDVWYEVUDKQ-GXRSIYKFSA-N
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