Geometry & MOs

Info

ID:	197961
PubChem CID:	79022086
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	324.97498
ΔH_f, kcal/mol:	-79.96
Dipole, Da:	5.96
IP(EA), eV:	-9.19(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene

Drug info:

PubChemData

Smile

C1CC(CNC1)COCC2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations