Geometry & MOs

Info

ID:	405478
PubChem CID:	135074147
Reduced:	OC23H34 (1)
Stoich.:	AB23C34 (1)
Weight, g/mol:	448.26136
ΔH_f, kcal/mol:	-34.51
Dipole, Da:	1.58
IP(EA), eV:	-9.09(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy(phenyl)methylidene]-5-methoxy-4,6,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC/C=C(\C)/CC/C=C(\C)/CC[C@H]2C(O2)(C)C

DOS

IR

Vibrations