Geometry & MOs

Info

ID:	372623
PubChem CID:	131301079
Reduced:	BrO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	284.04119
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-(2-ethoxy-4-ethylphenyl)propan-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC)C(C(=O)C)Br

DOS

IR

Vibrations