Geometry & MOs

Info

ID:	411338
PubChem CID:	135084161
Reduced:	NBr2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	232.071114
ΔH_f, kcal/mol:	-33.73
Dipole, Da:	3.88
IP(EA), eV:	-10.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=C(C=C1)/C=C\Br)Br

DOS

IR

Vibrations