Geometry & MOs

Info

ID:	394784
PubChem CID:	135023808
Reduced:	ClO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	307.073712
ΔH_f, kcal/mol:	-134.85
Dipole, Da:	3.23
IP(EA), eV:	-9.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-6-chloro-4-ethoxycarbonyl-3-methylidene-5-oxo-1-phenylhex-1-en-1-olate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=C)/C=C(/C1=CC=CC=C1)\O)C(=O)CCl

DOS

IR

Vibrations