Geometry & MOs

Info

ID:	287346
PubChem CID:	104238017
Reduced:	ClO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	355.9615
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	3.05
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-chlorophenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)O)Cl

DOS

IR

Vibrations