Geometry & MOs

Info

ID:	260868
PubChem CID:	103207432
Reduced:	BrNO2F3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	299.09447
ΔH_f, kcal/mol:	-219.69
Dipole, Da:	4.91
IP(EA), eV:	-9.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluoro-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CNC(COCC(F)(F)F)C1=C(C=C(C=C1)OC)Br

DOS

IR

Vibrations