Geometry & MOs

Info

ID:	361860
PubChem CID:	127304831
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	374.206639
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	5.73
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations