Geometry & MOs

Info

ID:	364562
PubChem CID:	127315814
Reduced:	ON5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	249.122575
ΔH_f, kcal/mol:	-3.72
Dipole, Da:	3.73
IP(EA), eV:	-8.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1CCCCO1)C2=NC=NC3=C2N=CN3CC

DOS

IR

Vibrations