Geometry & MOs

Info

ID:	314061
PubChem CID:	126620218
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	197.121592
ΔH_f, kcal/mol:	-78.63
Dipole, Da:	5.07
IP(EA), eV:	-8.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-fluoro-5-methylphenoxy)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](CNC)OC1=CC2=C(C=C1)OC(=C2)C(=O)C

DOS

IR

Vibrations