Geometry & MOs

Info

ID:	413708
PubChem CID:	135086658
Reduced:	Br2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	238.076057
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	2.01
IP(EA), eV:	-9.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)heptane-2,6-dione

Drug info:

PubChemData

Smile

CCC(=O)COC1=C(C=C(C=C1Br)Br)C=O

DOS

IR

Vibrations