Geometry & MOs

Info

ID:	330847
PubChem CID:	127248254
Reduced:	FOSN5C24H24 (1)
Stoich.:	ABCD5E24F24 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	8.93
Dipole, Da:	2.98
IP(EA), eV:	-8.9(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[2-(dimethylamino)pyridin-3-yl]methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N

DOS

IR

Vibrations