Geometry & MOs

Info

ID:	333754
PubChem CID:	127252306
Reduced:	OF3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	2.82
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C2=CN=CN=C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations