Geometry & MOs

Info

ID:	271845
PubChem CID:	103694305
Reduced:	NF3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	279.108228
ΔH_f, kcal/mol:	-257.8
Dipole, Da:	4.02
IP(EA), eV:	-8.95(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)[C@@H](CC(F)(F)F)N)OC)OC

DOS

IR

Vibrations