Geometry & MOs

Info

ID:	407387
PubChem CID:	135079970
Reduced:	NF3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	194.10955
ΔH_f, kcal/mol:	-215.89
Dipole, Da:	2.85
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E)-penta-1,3-dienyl]naphthalene

Drug info:

PubChemData

Smile

CCCC/C(=C/COC(=NC1=CC=C(C=C1)OC)C(F)(F)F)/COCC2=CC=CC=C2

DOS

IR

Vibrations