Geometry & MOs

Info

ID:	394625
PubChem CID:	135023304
Reduced:	OC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	254.95182
ΔH_f, kcal/mol:	15.57
Dipole, Da:	1.97
IP(EA), eV:	-9.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-iodo-3-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2C=CC=CC2O

DOS

IR

Vibrations