Geometry & MOs

Info

ID:	66999
PubChem CID:	46505671
Reduced:	O5C25H28 (1)
Stoich.:	A5B25C28 (1)
Weight, g/mol:	374.167065
ΔH_f, kcal/mol:	-128.57
Dipole, Da:	1.73
IP(EA), eV:	-8.11(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2-(naphthalen-1-ylmethylidene)-6-(naphthalen-2-ylmethylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/2\CC/C(=C/C3=CC(=C(C=C3)OCC)OC)/C2=O)OC

DOS

IR

Vibrations