Geometry & MOs

Info

ID:	399723
PubChem CID:	135042058
Reduced:	OH12C13 (1)
Stoich.:	AB12C13 (1)
Weight, g/mol:	163.016197
ΔH_f, kcal/mol:	12.99
Dipole, Da:	2.64
IP(EA), eV:	-9.42(0.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-1-chloro-4-ethoxy-4-oxobut-2-en-2-olate

Drug info:

PubChemData

Smile

C1C=C[C@H]2[C@@H]1C(=O)C2C3=CC=CC=C3

DOS

IR

Vibrations