Geometry & MOs

Info

ID:	331633
PubChem CID:	127249716
Reduced:	SO2N6C21H30 (1)
Stoich.:	AB2C6D21E30 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	5.22
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-[2-[6-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)CC(=O)N(C)C4CCCCC4

DOS

IR

Vibrations