Geometry & MOs

Info

ID:	372333
PubChem CID:	131296336
Reduced:	BrFO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	246.021435
ΔH_f, kcal/mol:	-156.92
Dipole, Da:	0.77
IP(EA), eV:	-9.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[4-(chloromethyl)-2-methoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1O)Br)F)C(=O)OC

DOS

IR

Vibrations