Geometry & MOs

Info

ID:	52065
PubChem CID:	12014848
Reduced:	FeON3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	92.78
Dipole, Da:	4.21
IP(EA), eV:	-8.88(-0.21)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations