Geometry & MOs

Info

ID:	293664
PubChem CID:	117395558
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	4.23
IP(EA), eV:	-9.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-6-(methoxymethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations