Geometry & MOs

Info

ID:	248405
PubChem CID:	103081361
Reduced:	ClF2N2O3C10H11 (1)
Stoich.:	AB2C2D3E10F11 (1)
Weight, g/mol:	304.00228
ΔH_f, kcal/mol:	-141.0
Dipole, Da:	7.3
IP(EA), eV:	-9.07(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[2-(2,2-difluoroethoxy)ethylamino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NCCOCC(F)F

DOS

IR

Vibrations