Geometry & MOs

Info

ID:	396343
PubChem CID:	135028106
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	414.131468
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	1.32
IP(EA), eV:	-9.3(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@@H](C(=C)[C@@H]1CCC2=CC=CC=C2)C=C)C(=O)OC

DOS

IR

Vibrations