Geometry & MOs

Info

ID:	217515
PubChem CID:	85087928
Reduced:	OC13H13 (2)
Stoich.:	AB13C13 (2)
Weight, g/mol:	370.19328
ΔH_f, kcal/mol:	88.37
Dipole, Da:	3.06
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,15-dimethyltetracosa-3,5,7,9,15,17,19,21-octaen-11,13-diyne-2,23-dione

Drug info:

PubChemData

Smile

C=C1C2C3C4C5C(C2C4OCC6=CC=CC=C6)C1C3C5OCC7=CC=CC=C7

DOS

IR

Vibrations