Geometry & MOs

Info

ID:	246151
PubChem CID:	103047050
Reduced:	BrClFO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	329.002177
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	3.87
IP(EA), eV:	-8.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methoxy]-2-(chloromethyl)-4-nitrobenzene

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=C(C=CC(=C2)Cl)F)CBr

DOS

IR

Vibrations