Geometry & MOs

Info

ID:	217047
PubChem CID:	85087160
Reduced:	SiO4C17H30 (1)
Stoich.:	AB4C17D30 (1)
Weight, g/mol:	325.143129
ΔH_f, kcal/mol:	-251.95
Dipole, Da:	2.04
IP(EA), eV:	-8.95(0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(4-chlorobutyl)-1,3-dipropylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CCC2C1(CCC2O)CC(=O)OC

DOS

IR

Vibrations