Geometry & MOs

Info

ID:	330900
PubChem CID:	127248307
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	22.98
Dipole, Da:	2.89
IP(EA), eV:	-8.86(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N

DOS

IR

Vibrations