Geometry & MOs

Info

ID:	51918
PubChem CID:	12014687
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	5.16
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-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

DOS

IR

Vibrations