Geometry & MOs

Info

ID:	67009
PubChem CID:	46505694
Reduced:	O5C29H36 (1)
Stoich.:	A5B29C36 (1)
Weight, g/mol:	464.256274
ΔH_f, kcal/mol:	-149.67
Dipole, Da:	3.57
IP(EA), eV:	-8.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC(COC1=C(C=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC(=C(C=C3)OCC(C)C)OC)/CC2)OC)C

DOS

IR

Vibrations