Geometry & MOs

Info

ID:	330924
PubChem CID:	127248331
Reduced:	OSN5C25H29 (1)
Stoich.:	ABC5D25E29 (1)
Weight, g/mol:	431.177982
ΔH_f, kcal/mol:	39.68
Dipole, Da:	7.83
IP(EA), eV:	-8.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N(C)C

DOS

IR

Vibrations