Geometry & MOs

Info

ID:	383263
PubChem CID:	134974888
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	2.15
IP(EA), eV:	-8.25(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C[C@H]3CC(C2)COC3

DOS

IR

Vibrations