Geometry & MOs

Info

ID:	248403
PubChem CID:	103081357
Reduced:	F2O3N5C9H13 (1)
Stoich.:	A2B3C5D9E13 (1)
Weight, g/mol:	323.99211
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	4.24
IP(EA), eV:	-9.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=C(C(=NC=N1)NCCOCC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations