Geometry & MOs

Info

ID:	262563
PubChem CID:	103301334
Reduced:	BrO2F3H8C14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	228.076199
ΔH_f, kcal/mol:	-156.08
Dipole, Da:	4.01
IP(EA), eV:	-9.47(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-1-(2,4,5-trifluorophenyl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2F)F)F)Br

DOS

IR

Vibrations