Geometry & MOs

Info

ID:	26090
PubChem CID:	638126
Reduced:	IO2C3H3 (1)
Stoich.:	AB2C3D3 (1)
Weight, g/mol:	172.073559
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	3.93
IP(EA), eV:	-10.4(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (E)-but-2-enedioate

Drug info:

PubChemData

Smile

C(=C/I)\C(=O)O

DOS

IR

Vibrations