Geometry & MOs

Info

ID:	329907
PubChem CID:	127246774
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-37.47
Dipole, Da:	3.31
IP(EA), eV:	-8.42(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)CC3=CC=CC=C3OC

DOS

IR

Vibrations