Geometry & MOs

Info

ID:	330848
PubChem CID:	127248255
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	38.22
Dipole, Da:	0.92
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N

DOS

IR

Vibrations