Geometry & MOs

Info

ID:	393068
PubChem CID:	135019185
Reduced:	O4C29H36 (1)
Stoich.:	A4B29C36 (1)
Weight, g/mol:	344.081537
ΔH_f, kcal/mol:	-94.04
Dipole, Da:	3.08
IP(EA), eV:	-8.59(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(5-chloro-2-hydroxyphenyl)-2-methylidene-4-oxo-3-phenylbutanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(CCCOCC2=CC=CC=C2)CC(=O)C#CC3CCCCC3

DOS

IR

Vibrations