Geometry & MOs

Info

ID:	272626
PubChem CID:	103750300
Reduced:	BrFO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	346.99572
ΔH_f, kcal/mol:	-114.95
Dipole, Da:	5.88
IP(EA), eV:	-9.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-acetyl-5-bromophenoxy)methyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)Br)OCC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations