Geometry & MOs

Info

ID:	52475
PubChem CID:	12015351
Reduced:	FeO2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	321.0816
ΔH_f, kcal/mol:	50.18
Dipole, Da:	3.4
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-amino-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol;cyclopenta-1,3-diene;iron(2+)

Drug info:

PubChemData

Smile

[CH-]1C=CC=C1.C1=CC=C(C=C1)C(C([C-]2C=CC=C2)O)O.[Fe+2]

DOS

IR

Vibrations