Geometry & MOs

Info

ID:	51917
PubChem CID:	12014686
Reduced:	CrO6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-256.12
Dipole, Da:	9.73
IP(EA), eV:	-8.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[3-methoxy-2-(2-methylphenyl)phenyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC=C2OC)[C@@H]3CCC(=O)O3.C=O.C=O.C=O.[Cr]

DOS

IR

Vibrations