Geometry & MOs

Info

ID:	366010
PubChem CID:	127319315
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	28.85
Dipole, Da:	3.31
IP(EA), eV:	-9.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations