Geometry & MOs

Info

ID:	282329
PubChem CID:	103922408
Reduced:	NOCl2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-62.51
Dipole, Da:	1.6
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(CC)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations