Geometry & MOs

Info

ID:	330891
PubChem CID:	127248298
Reduced:	OSN5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	49.11
Dipole, Da:	4.1
IP(EA), eV:	-8.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations