Geometry & MOs

Info

ID:	52394
PubChem CID:	12015245
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-59.4
Dipole, Da:	4.0
IP(EA), eV:	-10.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(pent-3-ynyl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CC#CCCOC(=O)C1=CC=CC=C1C(=O)OCCC#CC

DOS

IR

Vibrations