Geometry & MOs

Info

ID:	191265
PubChem CID:	78123947
Reduced:	FeN6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	316.143645
ΔH_f, kcal/mol:	228.36
Dipole, Da:	5.2
IP(EA), eV:	-7.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopenta-2,4-dien-1-ylmethylideneamino)-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)NN=CC4C=CC=C4.C1C=CC=C1.[Fe+2]

DOS

IR

Vibrations