Geometry & MOs

Info

ID:	404724
PubChem CID:	135069966
Reduced:	OC17H28 (1)
Stoich.:	AB17C28 (1)
Weight, g/mol:	502.30831
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	3.5
IP(EA), eV:	-9.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,4-bis(3-methylbut-2-enyl)-2-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)cyclohex-4-ene-1,3-dione

Drug info:

PubChemData

Smile

CCC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations