Geometry & MOs

Info

ID:	67105
PubChem CID:	46505881
Reduced:	O3C29H36 (1)
Stoich.:	A3B29C36 (1)
Weight, g/mol:	400.276616
ΔH_f, kcal/mol:	-88.08
Dipole, Da:	5.71
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1C/C(=C\C2=CC=C(C=C2)OCC)/C(=O)/C(=C/C3=CC=C(C=C3)OCC)/C1)(C)C

DOS

IR

Vibrations