Geometry & MOs

Info

ID:	67005
PubChem CID:	46505690
Reduced:	NO5C34H39 (1)
Stoich.:	AB5C34D39 (1)
Weight, g/mol:	464.256274
ΔH_f, kcal/mol:	-111.3
Dipole, Da:	5.41
IP(EA), eV:	-8.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/2\CN(C/C(=C/C3=CC(=C(C=C3)OCC)OCC)/C2=O)CC4=CC=CC=C4)OCC

DOS

IR

Vibrations