Geometry & MOs

Info

ID:	124465
PubChem CID:	50884692
Reduced:	Cl2N2O6H22C27 (1)
Stoich.:	A2B2C6D22E27 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-151.27
Dipole, Da:	8.09
IP(EA), eV:	-9.01(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OCC(C)C)C4=CC(=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations