Geometry & MOs

Info

ID:	331642
PubChem CID:	127249725
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	4.55
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethoxyphenyl)-[2-[6-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations