Geometry & MOs

Info

ID:	128103
PubChem CID:	51031282
Reduced:	OH12C19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	270.104465
ΔH_f, kcal/mol:	139.6
Dipole, Da:	4.02
IP(EA), eV:	-9.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-(2-methylphenyl)-1-phenylhept-4-en-2,6-diyn-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#C/C=C\C#CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations