Geometry & MOs

Info

ID:	329850
PubChem CID:	127246717
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	28.5
Dipole, Da:	5.36
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations