Geometry & MOs

Info

ID:	282050
PubChem CID:	103914801
Reduced:	NO3C17H33 (1)
Stoich.:	AB3C17D33 (1)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-176.35
Dipole, Da:	2.2
IP(EA), eV:	-9.26(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(CNC(C)C2CCOCC2)O

DOS

IR

Vibrations