Geometry & MOs

Info

ID:	67066
PubChem CID:	46505803
Reduced:	OS2H18C22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	404.235145
ΔH_f, kcal/mol:	70.68
Dipole, Da:	3.24
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]-4-(2-methylbutan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1/C(=C\C2=CSC=C2)/C(=O)/C(=C/C3=CSC=C3)/CC1C4=CC=CC=C4

DOS

IR

Vibrations