Geometry & MOs

Info

ID:	284525
PubChem CID:	104051622
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	309.98163
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	3.72
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2(CCCO2)C)C)Br

DOS

IR

Vibrations