Geometry & MOs

Info

ID:

184605

PubChem CID:

77182554

Reduced:

F3O4N11C35H42 (1)

Stoich.:

A3B4C11D35E42 (1)

Weight, g/mol:

719.326769

ΔHf, kcal/mol:

-162.85

Dipole, Da:

8.09

IP(EA), eV:

 -8.44(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C2CC(C(C2O)O)N3C=NC4=C(N=C(N=C43)NCCN5CCCCC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations