Geometry & MOs

Info

ID:	124553
PubChem CID:	50887218
Reduced:	ClNOH16C22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	470.02397
ΔH_f, kcal/mol:	64.54
Dipole, Da:	3.28
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-[(4-iodophenyl)hydrazinylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N=CC2=CC=C(O2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations