Geometry & MOs

Info

ID:	177400
PubChem CID:	76180869
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	9.93
IP(EA), eV:	-9.58(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=C2C(=C(C(=O)N(C2=O)CC=C)C#N)C)O)C

DOS

IR

Vibrations