Geometry & MOs

Info

ID:	414135
PubChem CID:	135087090
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	430.214409
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	0.06
IP(EA), eV:	-10.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,11-dimethyl-2,11-bis(phenylmethoxy)dodeca-3,9-diyne-5,8-dione

Drug info:

PubChemData

Smile

CCCCC#CC(=O)CCC(=O)C#CCCCC

DOS

IR

Vibrations