Geometry & MOs

Info

ID:	260866
PubChem CID:	103207344
Reduced:	BrNF2O2C15H22 (1)
Stoich.:	ABC2D2E15F22 (1)
Weight, g/mol:	309.135192
ΔH_f, kcal/mol:	-181.93
Dipole, Da:	4.72
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluoro-4-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)F)C1=C(C=CC(=C1)Br)OCC

DOS

IR

Vibrations