Geometry & MOs

Info

ID:	201776
PubChem CID:	79580901
Reduced:	NSCl2O4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-154.88
Dipole, Da:	4.71
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-2-[2-(2-ethoxyphenoxy)ethyl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NC1=CC2=C(C=C1Cl)OCO2)CCl

DOS

IR

Vibrations