Geometry & MOs

Info

ID:	21057
PubChem CID:	587054
Reduced:	ClON3H9C14 (2)
Stoich.:	ABC3D9E14 (2)
Weight, g/mol:	540.086829
ΔH_f, kcal/mol:	106.76
Dipole, Da:	1.52
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[9-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-1,10-phenanthrolin-2-yl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C3=C1C=CC(=N3)C=NNC(=O)C4=CC=C(C=C4)Cl)N=C(C=C2)C=NNC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations