Geometry & MOs

Info

ID:	67128
PubChem CID:	46505923
Reduced:	O5C38H46 (1)
Stoich.:	A5B38C46 (1)
Weight, g/mol:	522.313395
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	2.77
IP(EA), eV:	-8.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(4-pentoxyphenyl)methylidene]-4-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC(=C(C=C3)OCCCC)OCC)/C2=O)C4=CC=CC=C4)OCC

DOS

IR

Vibrations