Geometry & MOs

Info

ID:

184604

PubChem CID:

77182553

Reduced:

O5N10C40H44 (1)

Stoich.:

A5B10C40D44 (1)

Weight, g/mol:

737.337333

ΔHf, kcal/mol:

-49.86

Dipole, Da:

2.37

IP(EA), eV:

 -9.18(-1.01)

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]-5-(5-methyltetrazol-2-yl)cyclopentane-1,2-diol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1C(C(C(C1N2C=NC3=C(N=C(N=C32)C(=O)NCCNC(=O)NCCC4=CC=CC=C4)NCC(C5=CC=CC=C5)C6=CC=CC=C6)O)O)N7C=C(C=N7)CO

DOS

IR

Vibrations