Geometry & MOs

Info

ID:	284521
PubChem CID:	104051617
Reduced:	FBr2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	323.99728
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	4.96
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2=C(C=CC(=C2)F)Br)C)Br

DOS

IR

Vibrations