Geometry & MOs

Info

ID:	166024
PubChem CID:	74627261
Reduced:	SN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	353.186518
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	1.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.920324
Charge, e:	1

Chem-info

IUPAC name:

2-(2-benzylpyrrolidin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)OCC2)C3=CSC=C3

DOS

IR

Vibrations