Geometry & MOs

Info

ID:	394811
PubChem CID:	135023845
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	324.157288
ΔH_f, kcal/mol:	-199.3
Dipole, Da:	2.49
IP(EA), eV:	-9.34(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(1R,2R)-1,2-bis(methoxymethoxy)-2-phenylethyl]oxan-2-one

Drug info:

PubChemData

Smile

COCO[C@H](C1CCCC1=O)[C@@H](C2=CC=CC=C2)OCOC

DOS

IR

Vibrations