Geometry & MOs

Info

ID:	330925
PubChem CID:	127248332
Reduced:	OSN5C24H25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	56.0
Dipole, Da:	4.59
IP(EA), eV:	-8.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC2=CC=CC=C2C=C1CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N

DOS

IR

Vibrations