Geometry & MOs

Info

ID:	333646
PubChem CID:	127252198
Reduced:	ClON3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	32.27
Dipole, Da:	2.59
IP(EA), eV:	-8.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[3-[4-(pyridin-3-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CN=CC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations