Geometry & MOs

Info

ID:	128102
PubChem CID:	51031281
Reduced:	OH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	256.088815
ΔH_f, kcal/mol:	89.65
Dipole, Da:	4.9
IP(EA), eV:	-9.63(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations