Geometry & MOs

Info

ID:	284522
PubChem CID:	104051618
Reduced:	BrO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	354.11944
ΔH_f, kcal/mol:	-231.41
Dipole, Da:	4.48
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3,5,5-trimethylhexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)CC(F)(F)F)C)Br

DOS

IR

Vibrations