Geometry & MOs

Info

ID:	402953
PubChem CID:	135058034
Reduced:	INOCl4H10C12 (1)
Stoich.:	ABCD4E10F12 (1)
Weight, g/mol:	430.175339
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	3.5
IP(EA), eV:	-9.68(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[6-oxo-1-phenyl-5-(1-phenylethylamino)pyridazin-4-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1COC(=N[C@]1(CI)C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl

DOS

IR

Vibrations