Geometry & MOs

Info

ID:

376441

PubChem CID:

134222454

Reduced:

N4O10H28C49 (1)

Stoich.:

A4B10C28D49 (1)

Weight, g/mol:

383.232125

ΔHf, kcal/mol:

-174.4

Dipole, Da:

2.04

IP(EA), eV:

 -9.06(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-benzyl-7-[2-[ethyl(propyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)CC6=CC=C(C=C6)N7C(=O)C8=C(C7=O)C=C(C=C8)C(=O)C9=CC1=C(C=C9)C(=O)N(C1=O)C

DOS

IR

Vibrations