Geometry & MOs

Info

ID:	248393
PubChem CID:	103081305
Reduced:	BrOF2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	314.068983
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	3.63
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-difluoroethoxy)ethyl]-4-nitro-2-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1=CN=C2C=C(C=NC2=C1NCCOCC(F)F)Br

DOS

IR

Vibrations