Geometry & MOs

Info

ID:	333728
PubChem CID:	127252280
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	2.32
IP(EA), eV:	-9.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=NC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations