Geometry & MOs

Info

ID:	248404
PubChem CID:	103081360
Reduced:	BrF2N2O3C10H11 (1)
Stoich.:	AB2C2D3E10F11 (1)
Weight, g/mol:	280.042626
ΔH_f, kcal/mol:	-129.78
Dipole, Da:	7.27
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-nitroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCCOCC(F)F

DOS

IR

Vibrations