Geometry & MOs

Info

ID:	381746
PubChem CID:	134972565
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-119.01
Dipole, Da:	1.66
IP(EA), eV:	-9.08(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-5-phenylhexane-1,3-diol

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CCC1=C([C@H]2CC=C[C@H]2O1)C(=O)OC)/C)C

DOS

IR

Vibrations