Geometry & MOs

Info

ID:	333712
PubChem CID:	127252264
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	18.76
Dipole, Da:	4.68
IP(EA), eV:	-9.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations