Geometry & MOs

Info

ID:	399666
PubChem CID:	135041574
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	217.106256
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	5.73
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,6S)-4-azido-6-(2-hydroxyethoxy)-2-methyloxan-3-ol

Drug info:

PubChemData

Smile

COC1(C=CC2=CNC=C2C1=O)OC

DOS

IR

Vibrations