Geometry & MOs

Info

ID:	331654
PubChem CID:	127249737
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	54.77
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[2-[6-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)CC4=CC=CC=C4C

DOS

IR

Vibrations