Geometry & MOs

Info

ID:	337102
PubChem CID:	127256667
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-132.2
Dipole, Da:	2.59
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-6-phenyloxan-3-ol

Drug info:

PubChemData

Smile

COC1=CCCCC1C(=O)OC2=CC=COC2

DOS

IR

Vibrations