Geometry & MOs

Info

ID:	329849
PubChem CID:	127246716
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	25.5
Dipole, Da:	3.69
IP(EA), eV:	-8.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=NOC(=C3)C4CC4

DOS

IR

Vibrations