Geometry & MOs

Info

ID:	88612
PubChem CID:	49955726
Reduced:	NCl2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	336.136646
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.060036
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNCC2=CC=CC=C2Cl)OCCO.[Cl-]

DOS

IR

Vibrations