Geometry & MOs

Info

ID:	359887
PubChem CID:	127299931
Reduced:	FN3O4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	-191.94
Dipole, Da:	3.66
IP(EA), eV:	-8.57(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations