Geometry & MOs

Info

ID:	329883
PubChem CID:	127246750
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	4.64
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2S(=O)(=O)C3=CC=CC(=C3)OC

DOS

IR

Vibrations