Geometry & MOs

Info

ID:	203386
PubChem CID:	79822229
Reduced:	ClO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	228.075959
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	4.36
IP(EA), eV:	-10.23(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-pyrimidin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1C(=O)O)Cl)C2=NC=NC=C2

DOS

IR

Vibrations