Geometry & MOs

Info

ID:	414134
PubChem CID:	135087089
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	16.79
Dipole, Da:	4.34
IP(EA), eV:	-9.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadeca-5,11-diyne-7,10-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)C#CC#CC(C)(C)OCC1=CC=CC=C1

DOS

IR

Vibrations