Geometry & MOs

Info

ID:

184606

PubChem CID:

77182555

Reduced:

F3O3N11C35H40 (1)

Stoich.:

A3B3C11D35E40 (1)

Weight, g/mol:

719.326769

ΔHf, kcal/mol:

-106.76

Dipole, Da:

4.76

IP(EA), eV:

 -8.61(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-2-hydroxy-3-(5-methyltetrazol-2-yl)cyclopentyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C2CC(C(C2OC(=O)C(F)(F)F)O)N3C=NC4=C(N=C(N=C43)NCCN5CCCCC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations