Geometry & MOs

Info

ID:	350899
PubChem CID:	127279187
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	3.57
IP(EA), eV:	-8.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=O)N3C=CC=CC3=N2)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations