Geometry & MOs

Info

ID:	4410
PubChem CID:	11368
Reduced:	ClNO3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	337.144471
ΔH_f, kcal/mol:	-132.47
Dipole, Da:	4.65
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;hydrochloride

Drug info:

PubChemData

Smile

CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl

DOS

IR

Vibrations