Geometry & MOs

Info

ID:	124528
PubChem CID:	50887138
Reduced:	ClO3N4H27C32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	29.41
Dipole, Da:	8.03
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-methyl-2,6-dioxo-1-propyl-5-(pyridin-3-ylhydrazinylidene)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C

DOS

IR

Vibrations