Geometry & MOs

Info

ID:	333658
PubChem CID:	127252210
Reduced:	ClON3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	30.88
Dipole, Da:	2.28
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=N2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations