Geometry & MOs

Info

ID:	333661
PubChem CID:	127252213
Reduced:	O2F3N4C22H23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-151.86
Dipole, Da:	3.14
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=N2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations