Geometry & MOs

Info

ID:	282332
PubChem CID:	103922536
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	239.134385
ΔH_f, kcal/mol:	-72.24
Dipole, Da:	2.07
IP(EA), eV:	-8.5(2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-(4-methylsulfanylphenyl)ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)NC1CCN(C(C1)C)C

DOS

IR

Vibrations