Geometry & MOs

Info

ID:	247090
PubChem CID:	103067528
Reduced:	BrNO2F3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	277.108977
ΔH_f, kcal/mol:	-183.2
Dipole, Da:	5.14
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)COC2=CC(=C(C=C2)OC(F)(F)F)Br

DOS

IR

Vibrations