Geometry & MOs

Info

ID:	11312
PubChem CID:	113712
Reduced:	Cl2N2O3C19H28 (1)
Stoich.:	A2B2C3D19E28 (1)
Weight, g/mol:	402.147698
ΔH_f, kcal/mol:	-183.0
Dipole, Da:	1.14
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenoxy-3-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)propan-2-ol;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2NC1CNCC(COC3=CC=CC=C3)O.O.Cl.Cl

DOS

IR

Vibrations