Geometry & MOs

Info

ID:	329932
PubChem CID:	127246799
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	5.75
IP(EA), eV:	-8.38(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCC(=O)N2CCCC2C3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations