Geometry & MOs

Info

ID:	296663
PubChem CID:	117587981
Reduced:	BrON2H5C9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	247.019861
ΔH_f, kcal/mol:	62.18
Dipole, Da:	4.89
IP(EA), eV:	-10.22(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[2-(trifluoromethoxy)ethyl]ethanamine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=O)N=C2)Br

DOS

IR

Vibrations