Geometry & MOs

Info

ID:	191264
PubChem CID:	78123946
Reduced:	N7H13C16 (1)
Stoich.:	A7B13C16 (1)
Weight, g/mol:	438.12553
ΔH_f, kcal/mol:	208.98
Dipole, Da:	9.43
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CC=C1C=NNC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2

DOS

IR

Vibrations