Geometry & MOs

Info

ID:	399161
PubChem CID:	135038376
Reduced:	NO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	4.86
IP(EA), eV:	-8.3(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-hydroxy-2-methoxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C=C(/C=[N+]/1\[C@@H](COC1=O)C2=CC=CC=C2)[O-]

DOS

IR

Vibrations