Geometry & MOs

Info

ID:	62150
PubChem CID:	26717769
Reduced:	N4O4H18C23 (1)
Stoich.:	A4B4C18D23 (1)
Weight, g/mol:	498.247835
ΔH_f, kcal/mol:	7.14
Dipole, Da:	1.46
IP(EA), eV:	-9.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoyloxy]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations