Geometry & MOs

Info

ID:	14183
PubChem CID:	406219
Reduced:	NOH13C20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	283.099714
ΔH_f, kcal/mol:	156.85
Dipole, Da:	2.1
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC=CC#CC2=CC=CC=C2C#N

DOS

IR

Vibrations