Geometry & MOs

Info

ID:	360348
PubChem CID:	127300991
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	5.69
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)CNC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations