Geometry & MOs

Info

ID:	329829
PubChem CID:	127246696
Reduced:	SO3N4C14H22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-92.26
Dipole, Da:	3.94
IP(EA), eV:	-8.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations