Geometry & MOs

Info

ID:	298707
PubChem CID:	117654158
Reduced:	O4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	214.039672
ΔH_f, kcal/mol:	-161.09
Dipole, Da:	5.35
IP(EA), eV:	-8.55(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-2-(6-oxocyclohexa-1,3-dien-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1O)C)C(CCC(=O)O)C2=CC=CC=C2)O)C

DOS

IR

Vibrations