Geometry & MOs

Info

ID:	124477
PubChem CID:	50884861
Reduced:	N4O6H24C25 (1)
Stoich.:	A4B6C24D25 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	13.0
IP(EA), eV:	-8.85(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])CCO)C#N

DOS

IR

Vibrations