Geometry & MOs

Info

ID:	294203
PubChem CID:	117435063
Reduced:	BrO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	272.02121
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	3.99
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)propan-2-one

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1)O)Br)C(=O)O

DOS

IR

Vibrations