Geometry & MOs

Info

ID:	5331
PubChem CID:	12980
Reduced:	O2C3H3 (2)
Stoich.:	A2B3C3 (2)
Weight, g/mol:	142.026609
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	0.75
IP(EA), eV:	-11.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl but-2-ynedioate

Drug info:

PubChemData

Smile

COC(=O)C#CC(=O)OC

DOS

IR

Vibrations