Geometry & MOs

Info

ID:	405591
PubChem CID:	135074601
Reduced:	BrPO4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	432.23006
ΔH_f, kcal/mol:	-227.79
Dipole, Da:	1.67
IP(EA), eV:	-9.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy(phenyl)methylidene]-5-methoxy-4,6-bis(prop-2-enyl)-6-(2-prop-1-en-2-ylpent-4-enyl)cyclohex-4-ene-1,3-dione

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC(C1=CC=CC=C1)Br

DOS

IR

Vibrations