Geometry & MOs

Info

ID:	259919
PubChem CID:	103177479
Reduced:	BrN2O3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	286.083268
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	4.6
IP(EA), eV:	-9.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)Br)OCCOCCCOC

DOS

IR

Vibrations