Geometry & MOs

Info

ID:	52393
PubChem CID:	12015244
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	3.56
IP(EA), eV:	-10.19(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(pent-3-ynyl) benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1COC(=O)C2=CC=CC=C2C(=O)OCCC#C1

DOS

IR

Vibrations