Geometry & MOs

Info

ID:	329830
PubChem CID:	127246697
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	2.14
IP(EA), eV:	-8.48(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations