(1Ar,8Ar,8Br)-6-Amino-8A-Methoxy-5-Methyl-8-Methylene-1,1A,2,8,8A,8B-Hexahydroazireno[2',3':3,4]Pyrrolo[1,2-A]Indole-4,7-Dione

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Properties Simple | Detailed

Formula C14H15N3O3
IUPAC Name (1ar,8ar,8br)-6-amino-8a-methoxy-5-methyl-8-methylene-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
Molecular Mass 273.287 g·mol−1
Heat of Formation -40.1 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 311.69 Å 3
Surface Area 271.47 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1a-demethylmitomycin g
  • azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-8a-methoxy-5-methyl-8-methylene-, (1as-(1a-alpha,8a-alpha,8b-alpha))-
  • azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-8-methylene-, (1as-(1aalpha,8aalpha,8balpha))-
CAS Number(s)
  • 74422-23-4
InChIKey NZNFISCGOZNYBD-HGDANNRKSA-N
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