Geometry & MOs

Info

ID:	445702
PubChem CID:	135268989
Reduced:	F2N2O3C26H26 (1)
Stoich.:	A2B2C3D26E26 (1)
Weight, g/mol:	320.044296
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	2.58
IP(EA), eV:	-9.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dichloro-1-(3-hydroxypropyl)-3-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)CC(C(=O)C3)CCCO)(F)F

DOS

IR

Vibrations