Geometry & MOs

Info

ID:	280552
PubChem CID:	103849871
Reduced:	F3N4H11C13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	274.117824
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	7.02
IP(EA), eV:	-8.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1,3-dimethylpyrazol-4-yl)-3-ethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations