Geometry & MOs

Info

ID:	329831
PubChem CID:	127246698
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-61.81
Dipole, Da:	4.69
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations