Geometry & MOs

Info

ID:	88605
PubChem CID:	49955670
Reduced:	ClN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	260.105346
ΔH_f, kcal/mol:	2.56
Dipole, Da:	0.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750032
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[(2-methoxyethylamino)methyl]phenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNCC3=CC=C(C=C3)OCCO.[Cl-]

DOS

IR

Vibrations