Geometry & MOs

Info

ID:	399712
PubChem CID:	135041974
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	308.00481
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	3.15
IP(EA), eV:	-9.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aS,7aR)-2-(4-bromophenyl)-7a-methyl-3a,4-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

C1C2[C@@H](C3C(O3)[C@H](O1)O2)OCC4=CC=CC=C4

DOS

IR

Vibrations