Geometry & MOs

Info

ID:	333698
PubChem CID:	127252250
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	5.42
Dipole, Da:	1.5
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations