Geometry & MOs

Info

ID:	177392
PubChem CID:	76180184
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	13.25
IP(EA), eV:	-9.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[hydroxy-(4-pentoxyphenyl)methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=C2C(=C(C(=O)N(C2=O)C)C#N)C)O

DOS

IR

Vibrations