Geometry & MOs

Info

ID:	445756
PubChem CID:	135269346
Reduced:	ClF3N4O5C24H28 (1)
Stoich.:	AB3C4D5E24F28 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-314.26
Dipole, Da:	2.21
IP(EA), eV:	-8.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-8-(4-methoxyphenyl)-3-methyl-1-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CNC1=C(N(C(N1)OCC2=CC(=CC=C2)OC(F)(F)F)CC3=CC=C(C=C3)Cl)C(=O)NCCOCCO

DOS

IR

Vibrations