Geometry & MOs

Info

ID:	213084
PubChem CID:	81062809
Reduced:	ClNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	4.06
IP(EA), eV:	-9.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]ethanol

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC=C(C=C1)CCCl

DOS

IR

Vibrations