Geometry & MOs

Info

ID:	373864
PubChem CID:	131320758
Reduced:	BrO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	232.005785
ΔH_f, kcal/mol:	-212.47
Dipole, Da:	2.0
IP(EA), eV:	-9.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-[3-(chloromethyl)-4-hydroxyphenyl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC=C1F)OC(F)F)Br

DOS

IR

Vibrations