Geometry & MOs

Info

ID:	79960
PubChem CID:	49831834
Reduced:	BrO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	3.03
IP(EA), eV:	-9.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one

Drug info:

PubChemData

Smile

C#CCOC(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations