Geometry & MOs

Info

ID:	50962
PubChem CID:	12013565
Reduced:	N2O5H20C24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	430.152872
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	4.16
IP(EA), eV:	-9.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5Z)-3,3-dicyano-5-[hydroxy(methoxy)methylidene]-2-(4-methylphenyl)-6-oxo-4-phenylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C(C(C(/C(=C(\O)/OC)/C1=O)C2=CC=CC=C2)(C#N)C#N)C3=CC=CC=C3

DOS

IR

Vibrations