Geometry & MOs

Info

ID:	329822
PubChem CID:	127246689
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	2.73
IP(EA), eV:	-8.68(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC1C2=CC(=NC=C2)NC

DOS

IR

Vibrations