Geometry & MOs

Info

ID:	297017
PubChem CID:	117605969
Reduced:	O9C12H16 (1)
Stoich.:	A9B12C16 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-388.14
Dipole, Da:	6.89
IP(EA), eV:	-10.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(6-propan-2-ylpyridin-2-yl)oxypropane-1,2-diol

Drug info:

PubChemData

Smile

CC=CC=CC(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations