Geometry & MOs

Info

ID:

402664

PubChem CID:

135056790

Reduced:

BrClLiZnO2C7H13 (1)

Stoich.:

ABCDE2F7G13 (1)

Weight, g/mol:

257.045486

ΔHf, kcal/mol:

-228.29

Dipole, Da:

2.23

IP(EA), eV:

-10.6(-1.19)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

diethyl (E)-2-chloro-3-[(E)-2-cyanoethenyl]but-2-enedioate

Drug info:

PubChemData

Smile

[Li+].CC(=O)OCCCCCBr.[Cl-].[Zn]

DOS

IR

Vibrations