Geometry & MOs

Info

ID:	399885
PubChem CID:	135043472
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-72.33
Dipole, Da:	1.98
IP(EA), eV:	-9.29(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(1R)-1-hydroxy-3-phenylmethoxypropyl]-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CN[C@H]([C@H]1C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations