Geometry & MOs

Info

ID:

405737

PubChem CID:

135075280

Reduced:

BrO2N3H19C20 (1)

Stoich.:

AB2C3D19E20 (1)

Weight, g/mol:

189.074956

ΔHf, kcal/mol:

69.78

Dipole, Da:

4.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.054978

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5R)-5-(2-azidoethyl)oxolane-2,3,4-triol

Drug info:

PubChemData

Smile

C/C(=C/C(=O)C(=C(C1=CC=CC=C1)NOC)[N+]#N)/CC2=CC=C(C=C2)Br

DOS

IR

Vibrations