Geometry & MOs

Info

ID:	390426
PubChem CID:	134999115
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-142.65
Dipole, Da:	2.09
IP(EA), eV:	-9.75(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-4-phenylhex-5-ene-1,2,3-triol

Drug info:

PubChemData

Smile

COCO[C@H](C1CCCCC1)[C@@H](CC=C)O

DOS

IR

Vibrations