Geometry & MOs

Info

ID:	449964
PubChem CID:	135302851
Reduced:	O5C10H18 (1)
Stoich.:	A5B10C18 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-222.79
Dipole, Da:	5.31
IP(EA), eV:	-10.04(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]-1-(5-methylpyridin-2-yl)propane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(COCCC(=O)O)OCCC=O

DOS

IR

Vibrations