Geometry & MOs

Info

ID:	172937
PubChem CID:	75574385
Reduced:	ClN2O6H21C26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	328.117155
ΔH_f, kcal/mol:	-136.81
Dipole, Da:	8.31
IP(EA), eV:	-8.87(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-5-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)C(=O)OC(C)C

DOS

IR

Vibrations