Geometry & MOs

Info

ID:	399799
PubChem CID:	135042794
Reduced:	IO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-155.07
Dipole, Da:	2.12
IP(EA), eV:	-9.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1S,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1(CC[C@H]([C@H]1CI)C=C)C(=O)OC

DOS

IR

Vibrations