Geometry & MOs

Info

ID:	177391
PubChem CID:	76180183
Reduced:	NO2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	12.16
IP(EA), eV:	-9.77(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=C3C(=C(C(=O)N(C3=O)C)C#N)C)O

DOS

IR

Vibrations