Geometry & MOs

Info

ID:	368104
PubChem CID:	127327480
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	56.18
Dipole, Da:	9.09
IP(EA), eV:	-8.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C3=NC=C(C=C3)C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations