Geometry & MOs

Info

ID:	411271
PubChem CID:	135084084
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	272.02121
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	3.18
IP(EA), eV:	-9.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(3,5-dimethylphenyl)-2-fluorobutan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations