Geometry & MOs

Info

ID:	67068
PubChem CID:	46505805
Reduced:	OCl2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	464.256274
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	3.4
IP(EA), eV:	-9.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(2,3-dimethoxyphenyl)methylidene]-4-(2-methylbutan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations