Geometry & MOs

Info

ID:	1738
PubChem CID:	4965
Reduced:	BrO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	227.97859
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	3.74
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CBr

DOS

IR

Vibrations