Geometry & MOs

Info

ID:	330805
PubChem CID:	127248212
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-29.88
Dipole, Da:	4.25
IP(EA), eV:	-9.21(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(1-propanoylpyrrolidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations