Geometry & MOs

Info

ID:	407228
PubChem CID:	135079620
Reduced:	O5C20H22 (1)
Stoich.:	A5B20C22 (1)
Weight, g/mol:	646.28718
ΔH_f, kcal/mol:	-13.85
Dipole, Da:	3.92
IP(EA), eV:	-8.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2,4-bis(but-2-ynoxymethyl)-5-[2-(2-but-3-ynylnaphthalen-1-yl)ethynyl]phenyl]ethynyl]-2-but-3-ynylnaphthalene

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C(=C1C#C)OC)OC)OC)OCC#CCOCC#C

DOS

IR

Vibrations