1-{[(7R,9Ar)-9-Methyl-2,7,8,9,9A,10-Hexahydropyrrolo[3',2':5,6]Cyclohepta[1,2,3-Cd]Indol-7-Yl]Methyl}Dihydro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C20H22N4O2
IUPAC Name 1-{[(7r,9ar)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl]methyl}dihydro-2,4(1h,3h)-pyrimidinedione
Molecular Mass 350.414 g·mol−1
Heat of Formation -143.8 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 411.48 Å 3
Surface Area 344.4 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (7r-cis)-dihydro-1-((2,7,8,9,9a,10-hexahydro-9-methylpyrrolo(3',2':5,6)cyclohept(1,2,3-cd)indol-7-yl)methyl)-2,4(1h,3h)-pyrimidinedione
  • 2,4(1h,3h)-pyrimidinedione, dihydro-1-(((8-beta)-10,10a-didehydro-6-methyl-c(10-alpha)-homo-d-norergolin-8-yl)methyl)-
  • 2,4(1h,3h)-pyrimidinedione, dihydro-1-((2,7,8,9,9a,10-hexahydro-9-methylpyrrolo(3',2':5,6)cyclohept(1,2,3-cd)indol-7-yl)methyl)-, (7r-cis)-
  • dihydro-1-((2,7,8,9,9a,10-hexahydro-9-methylpyrrolo(3',2':5,6)cyclohept(1,2,3-cd)indol-7-yl)methyl)-2,4(1h,3h)-pyrimidinedione (7r-cis)-
  • fce 24379
CAS Number(s)
  • 113869-44-6
InChIKey OJPZLSMBNYRZIW-RHSMWYFYSA-N
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