Geometry & MOs

Info

ID:	289407
PubChem CID:	104350836
Reduced:	SN2O3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-94.01
Dipole, Da:	5.82
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(1-hydroxyethyl)phenyl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)NC1CCN(C1)C2=CC=C(S2)C=O

DOS

IR

Vibrations