Geometry & MOs

Info

ID:	343477
PubChem CID:	127266650
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-81.75
Dipole, Da:	3.26
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NC2CCC3=CC=CC=C3NC2=O

DOS

IR

Vibrations