Geometry & MOs

Info

ID:	405377
PubChem CID:	135073706
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	320.02121
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	4.03
IP(EA), eV:	-9.55(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-fluoro-1-(2-methylphenyl)-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

COC(=O)C(C/C=C\CO)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations