Geometry & MOs

Info

ID:	407127
PubChem CID:	135079365
Reduced:	Cl4O5H18C20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	412.167459
ΔH_f, kcal/mol:	-177.68
Dipole, Da:	2.51
IP(EA), eV:	-9.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1,3-bis(6-methoxynaphthalen-2-yl)prop-2-enyl] acetate

Drug info:

PubChemData

Smile

CO[C@@H]1C(=O)[C@@H]([C@H](O1)COCC2=C(C=CC=C2Cl)Cl)OCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations