Geometry & MOs

Info

ID:	260197
PubChem CID:	103184407
Reduced:	BrFN2O3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	242.131823
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	2.78
IP(EA), eV:	-9.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)COC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations