Geometry & MOs

Info

ID:	343548
PubChem CID:	127266721
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	59.41
Dipole, Da:	2.78
IP(EA), eV:	-8.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=NC=NC(=C2C=N1)NCCC3=CC=CC=C3N4CCOCC4

DOS

IR

Vibrations