Geometry & MOs

Info

ID:	231355
PubChem CID:	87573539
Reduced:	NCl2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	204.063388
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	2.35
IP(EA), eV:	-9.51(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-2-(hydroxymethyl)-5-prop-1-ynylperoxyoxolane-3,4-diol

Drug info:

PubChemData

Smile

C(CCC(Cl)Cl)CCN

DOS

IR

Vibrations