Geometry & MOs

Info

ID:	128101
PubChem CID:	51031280
Reduced:	OH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	91.33
Dipole, Da:	3.89
IP(EA), eV:	-9.5(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-8,8-dimethyl-1-phenylnon-4-en-2,6-diyn-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations