Geometry & MOs

Info

ID:	260879
PubChem CID:	103207665
Reduced:	BrNF2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	297.134049
ΔH_f, kcal/mol:	-175.87
Dipole, Da:	4.55
IP(EA), eV:	-8.79(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylnaphthalen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(CCOCC(F)F)N)OC

DOS

IR

Vibrations