Geometry & MOs

Info

ID:	391435
PubChem CID:	135005080
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-63.37
Dipole, Da:	7.31
IP(EA), eV:	-9.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[(2S)-2-methoxy-3-phenylmethoxypropyl]oxan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)CC2(C3C1C(C2=O)CC3)C)Br

DOS

IR

Vibrations