Geometry & MOs

Info

ID:	381878
PubChem CID:	134972738
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	329.160263
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	1.76
IP(EA), eV:	-9.5(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(2S,3S)-1,1,1-trifluoro-3-(prop-2-enoxymethyl)hex-5-en-2-yl]aniline

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[C@H](O1)OC)OCC2=CC=CC=C2

DOS

IR

Vibrations