Geometry & MOs

Info

ID:	177398
PubChem CID:	76180555
Reduced:	Cl2N2O4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	5.82
IP(EA), eV:	-9.49(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-chloro-3,5-dimethylphenoxy)-1-hydroxyethylidene]-4-methyl-2,6-dioxo-1-prop-2-enylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C(C(=C(COC2=C(C=C(C=C2)Cl)Cl)O)C1=O)C)C#N

DOS

IR

Vibrations