Geometry & MOs

Info

ID:	17249
PubChem CID:	490459
Reduced:	N5O5C18H19 (1)
Stoich.:	A5B5C18D19 (1)
Weight, g/mol:	385.138619
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	9.55
IP(EA), eV:	-8.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethoxyphenyl)-3-(2-hydroxyethoxymethyl)-5H-imidazo[1,2-a]purin-9-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO

DOS

IR

Vibrations