Geometry & MOs

Info

ID:	330974
PubChem CID:	127248381
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-73.99
Dipole, Da:	4.57
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-[3-(3-methylphenoxy)propyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCO)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)CN4C=CC=N4

DOS

IR

Vibrations