Geometry & MOs

Info

ID:	329918
PubChem CID:	127246785
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	3.52
IP(EA), eV:	-8.32(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)COC3=CC=C(C=C3)OC

DOS

IR

Vibrations