Geometry & MOs

Info

ID:

188038

PubChem CID:

77659167

Reduced:

ON4C21H26 (1)

Stoich.:

AB4C21D26 (1)

Weight, g/mol:

616.23878

ΔHf, kcal/mol:

96.8

Dipole, Da:

7.13

IP(EA), eV:

 -8.54(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)-7-[(2-chlorophenyl)methyl]-3-cyclopropyl-9-(2-ethoxyethyl)-5,8-dihydro-4H-purine-2,6-dione;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN2C3=NC(=O)C4CCCCC4=C3C(=N2)C5=CC=C5

DOS

IR

Vibrations