Geometry & MOs

Info

ID:	283121
PubChem CID:	103959238
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	3.38
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-ethylphenoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC2=CC=CC=C2OCC)N

DOS

IR

Vibrations