Geometry & MOs

Info

ID:	52064
PubChem CID:	12014847
Reduced:	CH3N3O3 (2)
Stoich.:	AB3C3D3 (2)
Weight, g/mol:	347.072098
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	5.61
IP(EA), eV:	-11.03(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(=O)(N)N.C(=O)(N[N+](=O)[O-])N[N+](=O)[O-]

DOS

IR

Vibrations