Geometry & MOs

Info

ID:	7243
PubChem CID:	71683
Reduced:	N5O8C25H31 (1)
Stoich.:	A5B8C25D31 (1)
Weight, g/mol:	529.217263
ΔH_f, kcal/mol:	-259.86
Dipole, Da:	7.21
IP(EA), eV:	-9.0(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;2-(2-hydroxy-4-methyl-7-oxochromen-6-yl)oxyacetic acid

Drug info:

PubChemData

Smile

CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1=C2C=C(C(=O)C=C2OC(=C1)O)OCC(=O)O

DOS

IR

Vibrations