Geometry & MOs

Info

ID:	67078
PubChem CID:	46505826
Reduced:	O5C26H30 (1)
Stoich.:	A5B26C30 (1)
Weight, g/mol:	422.209324
ΔH_f, kcal/mol:	-141.6
Dipole, Da:	5.23
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(2,5-dimethoxyphenyl)methylidene]-4-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=C(C=C(C=C2)OC)OC)/C(=O)/C(=C\C3=C(C=C(C=C3)OC)OC)/C1

DOS

IR

Vibrations