Geometry & MOs

Info

ID:	192322
PubChem CID:	78256893
Reduced:	FO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	401.186318
ΔH_f, kcal/mol:	-66.71
Dipole, Da:	9.59
IP(EA), eV:	-9.29(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-(2-ethoxyethyl)-9-(4-fluorophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)C(=C3C(=N2)NC(=NC3=O)N)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations