Geometry & MOs

Info

ID:	23464
PubChem CID:	603850
Reduced:	BrO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	253.99424
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	1.94
IP(EA), eV:	-10.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)pentane-1,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations