Geometry & MOs

Info

ID:	373248
PubChem CID:	131312226
Reduced:	BrClO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	246.021435
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	1.52
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC(=C1)OC)CCl)Br

DOS

IR

Vibrations