Geometry & MOs

Info

ID:	52066
PubChem CID:	12014849
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	580.057021
ΔH_f, kcal/mol:	86.44
Dipole, Da:	2.86
IP(EA), eV:	-9.75(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;N-(cyclopenta-2,4-dien-1-ylmethyl)-N-[(E)-cyclopenta-2,4-dien-1-ylmethylideneamino]-4-methylbenzenesulfonamide;iron(2+)

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H](C2C=CC=C2)N=[N+]=[N-])O

DOS

IR

Vibrations